============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TRP 15 1.040 -38.730 24.887 -15.405 -99.200 -91.000 TRP6 15 1.020 -38.186 26.799 -16.663 -99.200 -91.000 PHE 21 1.000 -25.342 17.066 -15.922 -99.200 -91.000 TYR 22 0.840 -21.753 19.870 -7.669 -99.200 -91.000 TRP 29 1.040 -21.929 22.207 -17.526 -99.200 -91.000 TRP6 29 1.020 -19.949 22.184 -16.274 -99.200 -91.000 PHE 32 1.000 -32.111 24.968 -17.441 -99.200 -91.000 PHE 41 1.000 -46.512 29.824 -28.546 -99.200 -91.000 TRP 42 1.040 -49.032 26.112 -25.838 -99.200 -91.000 TRP6 42 1.020 -50.508 26.929 -27.511 -99.200 -91.000 HIS 44 0.900 -44.563 34.985 -21.711 -99.200 -91.000 TYR 72 0.840 -43.232 38.958 -12.262 -99.200 -91.000 PHE 74 1.000 -39.154 37.151 -6.992 -99.200 -91.000 TYR 100 0.840 -44.480 26.005 -6.674 -99.200 -91.000 PHE 125 1.000 -46.951 8.033 -0.955 -99.200 -91.000 TYR 126 0.840 -43.558 10.538 2.680 -99.200 -91.000 PHE 134 1.000 -50.994 10.947 -14.147 -99.200 -91.000 PHE 144 1.000 -43.247 25.941 -16.975 -99.200 -91.000 PHE 147 1.000 -48.669 23.146 -13.055 -99.200 -91.000 PHE 159 1.000 -50.771 21.703 -33.468 -99.200 -91.000