============================================================================= 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. TRP 10 1.040 14.090 52.083 25.816 -99.200 -91.000 TRP6 10 1.020 16.297 52.658 26.459 -99.200 -91.000 PHE 17 1.000 22.199 52.771 26.502 -99.200 -91.000 TRP 18 1.040 25.963 47.687 21.780 -99.200 -91.000 TRP6 18 1.020 23.730 46.967 22.036 -99.200 -91.000 PHE 31 1.000 25.088 45.109 38.182 -99.200 -91.000 PHE 50 1.000 30.250 46.926 25.912 -99.200 -91.000 PHE 65 1.000 13.425 36.862 30.158 -99.200 -91.000 PHE 67 1.000 10.192 48.332 27.128 -99.200 -91.000 HIS 101 0.900 11.426 27.603 34.623 -99.200 -91.000 PHE 102 1.000 15.600 32.700 33.702 -99.200 -91.000 PHE 104 1.000 23.182 34.352 40.913 -99.200 -91.000 PHE 114 1.000 10.936 49.681 35.214 -99.200 -91.000 PHE 142 1.000 16.132 66.105 41.613 -99.200 -91.000 TYR 143 0.840 19.609 60.190 35.569 -99.200 -91.000 TYR 152 0.840 18.107 76.073 31.312 -99.200 -91.000 PHE 162 1.000 9.198 70.402 33.151 -99.200 -91.000 PHE 163 1.000 10.273 67.644 39.879 -99.200 -91.000 PHE 170 1.000 12.511 65.858 36.500 -99.200 -91.000 HIS 171 0.900 4.262 63.442 30.696 -99.200 -91.000 PHE 172 1.000 12.433 62.626 31.180 -99.200 -91.000 HIS 186 0.900 23.550 59.058 25.862 -99.200 -91.000 TRP 197 1.040 16.051 57.091 24.509 -99.200 -91.000 TRP6 197 1.020 17.849 57.821 25.882 -99.200 -91.000 TYR 198 0.840 16.538 62.619 27.811 -99.200 -91.000 PHE 207 1.000 12.699 55.079 41.967 -99.200 -91.000 HIS 218 0.900 4.026 49.960 48.140 -99.200 -91.000 TYR 226 0.840 10.314 40.243 55.092 -99.200 -91.000 TYR 243 0.840 19.404 49.810 46.403 -99.200 -91.000 PHE 245 1.000 15.099 42.989 44.762 -99.200 -91.000