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Vibrational Assignments 2

  • Page ID
    4434
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    Pr(-) Pr (Raman) Lumi-R(+) Lumi-R (Raman) Lumi-R* (Raman) Pfr (+) Pfr (Raman) I* (Raman) Assignment Ref
    2557          2575     \(Cys, \ \nu (S-H)\) 1
    1736         1724     \(\nu (C_1=O)\) 1,2,3,4,6
    1738         1732     \(C_1=O\) 10,1
    1735   1738           \(C_1=O\) 10
    1734         1722     \(-COOH \ (Asp/Glu), \ \nu(C=O)\) 1,2
    1704               \(\nu (C_{19}=O)\) 1,2,3,4,6
    1720         1692     \(C_{19}=O\) 10,1
    1716   1685           \(C_{19}=O\) 10
              1692     \(amide \ I \ (loop/turn)/propionate \ COOH, \ \nu (C=O)\) 1
    1687               \(amide \ I \ (loop/turn)/propionate \ COOH, \ \nu (C=O)\) 1
              1683     \(amide \ I \ (loop/turn)/propionate \ COOH, \ \nu (C=O)\) 1
    1672               \(amide \ I \ (loop/turn)\) 1
              1653     \(amide \ I \ (\alpha -helical)\) 1,2,3
              1653     \(chromophore^* \ \delta (N-H)\) 1
              1653     \(chromophore^* \ \nu (C-C)\) 1,3,4
    1631               \(amide \ I \ (\beta -structure)/chromophore \ \nu (C=C)\) 1,3,5
              1614     \(amide \ I \ (\beta -structure)^* /chromophore \ \nu (C=C)\) 1,3,5
    1606               \(amide \ I \ (\beta -structure)^* /chromophore \ \nu (C=C)\) 1,3,4
              1589     \(chromophore \ \nu (C=C)\) 1,3,4,6
          1614       1609 \(C=C \ stretch\) 11
    1570         1554     \(amide \ II\) 1,3,4,5,7,8,9
    1537               \(chromophore \ \nu (C=C) \ + \ \delta (N-H)/\nu (C-N) \ + \ \delta (N-H)\) 1
    1491         1512     \(chromophore \ \nu (C=C) \ + \ \delta (N-H)/\nu (C-N) \ + \ \delta (N-H)\) 1
    1487         1502     \(Trp, \ \nu (C-N) \ + \ \delta (C-H) \ + \ \delta (N-H)\) 1
    1246               \(chromophore \ \nu (C-N)\) 1
    1244         1228    

    \(Trp^* , \ \nu (C-C) \ + \ \delta (C-H)/HisH, \ \delta (CH_3) \ + \ \nu (C-N) \ + \ \delta (N-H)\)

    1
    1223         1230     \(chromophore \ \nu (C-N)\) 1
              1209     \(chromophore \ \nu (C-C)/amino \ acid\) 1
    1177         1172     \(chromophore \ \nu (C-C)/amino \ acid\) 1
    1151         1163     \(chromophore \ \nu (C-N)\) 1
              1134     \(chromophore \ \nu (C-N)\) 1
              1119     \(chromophore \ \nu (C-N)\) 1
    1109               \(chromophore \ \nu (C-N)\) 1
    1107         1099     \(HisH, \ \nu (C-N)\)  1
    1085         1082     \(chromophore \ \nu (C-C)/amino \ acid\) 1
    1072               \(chromophore \ \nu (C-N)\) 1
                  1345 \(C-C \ ,C-N \ stretch\) 11
    1652   1643           \(C_{15}=C_{16}\) 10
    1649   1633           \(C_{15}=C_{16}\) 10
      1629             \(C_{15}=C_{16} \ (methine \ bridge) \ ,C_{17}=C_{18} \ (double \ bond \ of \ the \ d \ ring)\) 11
      1652   1645         \(C_4=C_5 \ (A-B \ ring) \ stretch\) 11
    1633   1627           \(C_4=C_5\) 10
    1632               \(C_4=C_5\) 10
    1635               \(C_4=C_5\) 10
    1611   1602           \(C_4=C_5, \ C_9=C_{10}, \ C_{10}=C_{11}, \ C_{15}=C_{16}\) 10
      794   803       816 \(vinyl \ C_{15)-H \ hydrogen \ out-of-plane \ (HOOP)\) 11
                       
      1223           1056 \(vinyl \ C-H \ in-plane \ rock\) 11
      1312             \(vinyl \ N-H \ in-plane \ rock\) 11
      1566             \(in-phase \ in-plane \ N-H \ rock \ (localized \ to \ B \ and \ C \ rings\) 11
          1560     1570   \(N-H \ rock \ for \ C \ and \ D \ rings\) 11
                  1302 \(D-ring \ N-H rock\) 11
          1302         \(N-H \ in-plane \ rock\) 11
            1112       \(vinyl \ C-H \ rock\) 11
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