============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TYR 1 0.840 35.985 64.074 51.715 -99.200 -91.000 PHE 3 1.000 41.935 63.961 44.804 -99.200 -91.000 TRP 4 1.040 38.831 67.981 48.382 -99.200 -91.000 TRP6 4 1.020 36.851 68.308 49.644 -99.200 -91.000 TYR 9 0.840 47.480 72.775 51.651 -99.200 -91.000 HIS 25 0.900 39.044 68.149 58.187 -99.200 -91.000 PHE 45 1.000 57.750 50.021 61.577 -99.200 -91.000 TYR 53 0.840 34.236 59.417 66.598 -99.200 -91.000 HIS 55 0.900 33.411 55.684 68.354 -99.200 -91.000 PHE 81 1.000 61.450 53.797 58.363 -99.200 -91.000 TYR 101 0.840 40.099 47.991 51.151 -99.200 -91.000 PHE 103 1.000 47.192 50.944 55.413 -99.200 -91.000 TYR 106 0.840 50.356 64.516 50.349 -99.200 -91.000 TYR 124 0.840 38.420 50.636 59.244 -99.200 -91.000 PHE 129 1.000 48.577 54.068 58.857 -99.200 -91.000 PHE 144 1.000 71.685 50.335 59.735 -99.200 -91.000 TYR 147 0.840 66.464 57.962 60.889 -99.200 -91.000 HIS 150 0.900 57.066 64.738 61.975 -99.200 -91.000 TYR 161 0.840 32.645 72.013 51.214 -99.200 -91.000 TYR 172 0.840 27.603 79.498 57.741 -99.200 -91.000 PHE 236 1.000 45.172 67.436 61.392 -99.200 -91.000