============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TRP 2 1.040 46.995 61.844 66.193 -99.200 -91.000 TRP6 2 1.020 45.524 61.316 67.948 -99.200 -91.000 PHE 18 1.000 37.269 73.585 57.520 -99.200 -91.000 PHE 19 1.000 40.948 75.095 49.255 -99.200 -91.000 PHE 21 1.000 41.648 78.257 45.366 -99.200 -91.000 TYR 22 0.840 43.691 86.136 48.699 -99.200 -91.000 TYR 27 0.840 51.494 76.915 44.621 -99.200 -91.000 PHE 29 1.000 49.954 70.525 53.663 -99.200 -91.000 HIS 40 0.900 48.064 55.344 46.507 -99.200 -91.000 TYR 50 0.840 34.072 71.162 53.800 -99.200 -91.000 HIS 51 0.900 38.754 79.843 49.557 -99.200 -91.000 HIS 60 0.900 33.362 86.757 53.182 -99.200 -91.000 TRP 66 1.040 36.258 74.770 47.252 -99.200 -91.000 TRP6 66 1.020 37.769 73.840 45.690 -99.200 -91.000 PHE 80 1.000 39.382 80.759 41.191 -99.200 -91.000 PHE 81 1.000 46.063 76.639 45.869 -99.200 -91.000 HIS 90 0.900 46.096 91.417 41.310 -99.200 -91.000 PHE 99 1.000 33.784 78.297 38.553 -99.200 -91.000 TYR 109 0.840 31.244 83.026 38.030 -99.200 -91.000 PHE 128 1.000 37.064 79.410 60.044 -99.200 -91.000 TYR 131 0.840 35.226 69.517 60.675 -99.200 -91.000 TYR 140 0.840 39.939 70.098 61.630 -99.200 -91.000 TYR 145 0.840 41.178 60.749 65.565 -99.200 -91.000 HIS 146 0.900 44.157 70.868 63.565 -99.200 -91.000 PHE 152 1.000 52.919 65.009 60.498 -99.200 -91.000 PHE 155 1.000 66.716 67.392 58.610 -99.200 -91.000 PHE 160 1.000 54.824 68.081 55.537 -99.200 -91.000 TYR 164 0.840 49.756 66.243 56.808 -99.200 -91.000