============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 11 1.000 23.714 123.076 27.927 -99.200 -91.000 HIS 15 0.900 19.446 117.618 22.866 -99.200 -91.000 TYR 16 0.840 23.139 110.229 23.944 -99.200 -91.000 HIS 18 0.900 21.852 120.219 24.389 -99.200 -91.000 TYR 26 0.840 38.444 117.388 22.660 -99.200 -91.000 HIS 27 0.900 37.877 113.878 18.933 -99.200 -91.000 TRP 35 1.040 35.851 125.411 29.892 -99.200 -91.000 TRP6 35 1.020 36.465 127.625 30.481 -99.200 -91.000 PHE 36 1.000 28.706 120.233 27.351 -99.200 -91.000 HIS 44 0.900 17.306 132.239 23.321 -99.200 -91.000 HIS 69 0.900 39.233 114.822 26.050 -99.200 -91.000 PHE 70 1.000 32.178 116.727 26.036 -99.200 -91.000 TYR 84 0.840 20.928 140.539 27.801 -99.200 -91.000 TYR 86 0.840 30.030 142.840 25.224 -99.200 -91.000 TYR 96 0.840 39.268 130.967 32.983 -99.200 -91.000 PHE 101 1.000 37.275 131.568 26.811 -99.200 -91.000 HIS 102 0.900 38.070 128.095 18.622 -99.200 -91.000 PHE 103 1.000 28.823 130.848 23.166 -99.200 -91.000 TYR 112 0.840 17.268 135.172 18.439 -99.200 -91.000 TRP 116 1.040 22.808 135.370 19.680 -99.200 -91.000 TRP6 116 1.020 24.441 134.093 20.829 -99.200 -91.000 TYR 117 0.840 23.832 143.732 25.396 -99.200 -91.000 PHE 128 1.000 29.153 133.861 18.187 -99.200 -91.000 TYR 136 0.840 16.397 125.416 13.090 -99.200 -91.000 TYR 142 0.840 26.101 139.072 12.422 -99.200 -91.000 PHE 152 1.000 20.193 112.413 17.410 -99.200 -91.000 TYR 163 0.840 11.503 112.262 29.195 -99.200 -91.000 TYR 171 0.840 18.607 103.353 21.001 -99.200 -91.000 TYR 180 0.840 17.568 115.174 37.985 -99.200 -91.000 TYR 187 0.840 11.750 118.168 31.068 -99.200 -91.000