============================================================================= 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. HIS 1 0.900 2.494 3.099 5.347 -99.200 -91.000 TYR 21 0.840 6.857 1.875 16.896 -99.200 -91.000 PHE 35 1.000 14.217 0.785 14.151 -99.200 -91.000 PHE 41 1.000 15.536 -0.470 23.830 -99.200 -91.000 PHE 47 1.000 9.008 0.100 39.055 -99.200 -91.000 HIS 71 0.900 -0.344 5.579 59.225 -99.200 -91.000 TYR 72 0.840 4.526 8.271 53.201 -99.200 -91.000 TYR 80 0.840 8.974 13.343 40.176 -99.200 -91.000 HIS 87 0.900 -0.788 13.534 50.768 -99.200 -91.000 PHE 126 1.000 1.617 -9.907 38.558 -99.200 -91.000 HIS 128 0.900 8.977 -17.580 34.707 -99.200 -91.000 HIS 133 0.900 8.472 -17.746 30.693 -99.200 -91.000 TRP 140 1.040 14.143 -2.309 46.686 -99.200 -91.000 TRP6 140 1.020 12.069 -2.383 47.809 -99.200 -91.000 TRP 185 1.040 -5.032 4.352 39.913 -99.200 -91.000 TRP6 185 1.020 -4.662 2.182 40.784 -99.200 -91.000 TRP 204 1.040 -8.193 9.606 17.949 -99.200 -91.000 TRP6 204 1.020 -6.697 8.024 17.028 -99.200 -91.000 PHE 205 1.000 -8.589 5.205 27.034 -99.200 -91.000 TYR 237 0.840 10.628 0.716 27.268 -99.200 -91.000 HIS 262 0.900 1.642 7.278 7.539 -99.200 -91.000 TRP 263 1.040 -5.539 4.249 14.352 -99.200 -91.000 TRP6 263 1.020 -4.285 3.944 16.329 -99.200 -91.000