============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TRP 9 1.040 22.883 0.899 1.569 -99.200 -91.000 TRP6 9 1.020 22.677 -0.781 3.192 -99.200 -91.000 TYR 10 0.840 25.708 -3.308 -4.617 -99.200 -91.000 PHE 17 1.000 19.998 3.477 -1.227 -99.200 -91.000 TYR 31 0.840 17.124 3.148 -7.204 -99.200 -91.000 TYR 42 0.840 16.746 8.058 -13.441 -99.200 -91.000 TYR 48 0.840 19.943 9.545 9.357 -99.200 -91.000 TRP 63 1.040 15.373 6.051 -1.491 -99.200 -91.000 TRP6 63 1.020 15.669 4.249 -0.031 -99.200 -91.000 TRP 67 1.040 11.367 6.723 -11.132 -99.200 -91.000 TRP6 67 1.020 13.391 5.603 -10.645 -99.200 -91.000 TYR 71 0.840 22.167 10.704 -20.594 -99.200 -91.000 HIS 75 0.900 6.894 12.235 -18.992 -99.200 -91.000 TRP 80 1.040 12.455 2.258 -2.872 -99.200 -91.000 TRP6 80 1.020 12.998 3.784 -4.594 -99.200 -91.000 TYR 84 0.840 21.428 0.594 8.922 -99.200 -91.000 TRP 96 1.040 8.909 -0.610 -4.425 -99.200 -91.000 TRP6 96 1.020 7.403 -0.568 -6.234 -99.200 -91.000 TRP 108 1.040 -8.653 4.431 -12.928 -99.200 -91.000 TRP6 108 1.020 -7.859 2.288 -13.511 -99.200 -91.000 HIS 115 0.900 7.946 -7.147 -1.755 -99.200 -91.000 PHE 118 1.000 17.045 -0.972 -1.949 -99.200 -91.000