============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TRP 35 1.040 9.674 4.602 -2.412 -99.200 -91.000 TRP6 35 1.020 8.002 5.680 -1.139 -99.200 -91.000 TYR 36 0.840 12.750 -0.956 2.101 -99.200 -91.000 HIS 39 0.900 1.499 -8.012 1.776 -99.200 -91.000 TYR 49 0.840 17.556 -1.286 -7.243 -99.200 -91.000 PHE 62 1.000 3.752 -2.530 -6.419 -99.200 -91.000 TYR 86 0.840 2.656 -0.382 -0.298 -99.200 -91.000 TYR 87 0.840 7.070 0.977 7.123 -99.200 -91.000 TRP 91 1.040 23.958 8.085 5.250 -99.200 -91.000 TRP6 91 1.020 24.425 6.399 6.838 -99.200 -91.000 PHE 99 1.000 13.598 1.640 7.477 -99.200 -91.000 PHE 120 1.000 -16.936 4.021 29.063 -99.200 -91.000 PHE 141 1.000 -11.171 2.764 12.935 -99.200 -91.000 TYR 142 0.840 -12.855 -0.035 4.336 -99.200 -91.000 TRP 150 1.040 -5.602 10.750 24.194 -99.200 -91.000 TRP6 150 1.020 -7.435 10.201 25.585 -99.200 -91.000 TYR 174 0.840 -9.784 -2.440 9.391 -99.200 -91.000 TYR 179 0.840 -6.547 1.491 27.025 -99.200 -91.000 TRP 187 1.040 -10.149 12.679 36.652 -99.200 -91.000 TRP6 187 1.020 -11.112 13.042 34.528 -99.200 -91.000 HIS 190 0.900 -5.068 19.364 33.152 -99.200 -91.000 TYR 193 0.840 -6.871 15.431 30.935 -99.200 -91.000 HIS 199 0.900 -11.944 6.940 8.902 -99.200 -91.000