============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. HIS 8 0.900 -10.037 29.756 2.009 -99.200 -91.000 TYR 16 0.840 1.974 26.086 13.157 -99.200 -91.000 TRP 22 1.040 -10.044 30.720 11.791 -99.200 -91.000 TRP6 22 1.020 -8.438 30.142 10.139 -99.200 -91.000 HIS 23 0.900 -12.905 30.362 19.623 -99.200 -91.000 HIS 30 0.900 -21.721 28.414 7.589 -99.200 -91.000 PHE 47 1.000 -12.735 11.114 15.901 -99.200 -91.000 PHE 68 1.000 -10.221 6.178 14.092 -99.200 -91.000 HIS 69 0.900 -13.628 0.727 18.376 -99.200 -91.000 HIS 70 0.900 -14.978 7.730 19.281 -99.200 -91.000 HIS 88 0.900 -26.108 18.503 2.169 -99.200 -91.000 PHE 90 1.000 -22.874 19.446 4.856 -99.200 -91.000 PHE 92 1.000 -15.916 19.103 10.197 -99.200 -91.000 TYR 98 0.840 -11.247 20.394 3.045 -99.200 -91.000 TYR 109 0.840 -23.118 24.643 2.087 -99.200 -91.000 PHE 117 1.000 -4.596 34.294 11.523 -99.200 -91.000 PHE 122 1.000 -0.498 26.059 3.535 -99.200 -91.000 PHE 123 1.000 -10.792 24.187 -0.169 -99.200 -91.000 TYR 126 0.840 -11.925 28.577 -3.529 -99.200 -91.000 PHE 128 1.000 -14.102 35.158 -8.989 -99.200 -91.000 TRP 131 1.040 -15.434 25.800 -7.848 -99.200 -91.000 TRP6 131 1.020 -16.773 24.029 -7.018 -99.200 -91.000 HIS 149 0.900 -16.873 36.136 10.530 -99.200 -91.000 PHE 151 1.000 -20.270 32.451 8.010 -99.200 -91.000 HIS 153 0.900 -24.450 26.801 -1.270 -99.200 -91.000