============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 19 1.000 22.771 66.400 50.793 -99.200 -91.000 PHE 24 1.000 27.748 66.895 53.154 -99.200 -91.000 TRP 28 1.040 32.307 66.318 54.501 -99.200 -91.000 TRP6 28 1.020 32.948 66.483 52.234 -99.200 -91.000 TYR 29 0.840 40.792 66.292 57.225 -99.200 -91.000 TYR 49 0.840 36.179 73.911 62.559 -99.200 -91.000 TYR 53 0.840 28.124 67.174 58.169 -99.200 -91.000 TYR 61 0.840 23.662 64.169 57.328 -99.200 -91.000 PHE 68 1.000 46.326 70.935 69.757 -99.200 -91.000 TYR 75 0.840 36.442 64.827 70.707 -99.200 -91.000 TRP 76 1.040 31.087 72.128 67.917 -99.200 -91.000 TRP6 76 1.020 33.351 72.368 67.293 -99.200 -91.000 PHE 80 1.000 24.018 70.434 61.116 -99.200 -91.000 PHE 89 1.000 20.627 68.473 56.148 -99.200 -91.000 TYR 97 0.840 22.230 73.869 70.671 -99.200 -91.000 TYR 103 0.840 22.656 75.954 63.448 -99.200 -91.000 TYR 112 0.840 27.233 64.004 47.172 -99.200 -91.000 HIS 115 0.900 34.665 69.809 45.216 -99.200 -91.000 PHE 119 1.000 23.851 80.898 53.954 -99.200 -91.000 PHE 120 1.000 27.065 75.285 58.509 -99.200 -91.000 TYR 129 0.840 26.030 86.308 65.330 -99.200 -91.000 PHE 130 1.000 26.606 86.023 55.804 -99.200 -91.000 TYR 135 0.840 31.941 70.944 55.916 -99.200 -91.000 PHE 149 1.000 35.028 79.460 51.417 -99.200 -91.000 PHE 152 1.000 28.183 80.757 47.687 -99.200 -91.000 HIS 162 0.900 33.956 90.038 58.428 -99.200 -91.000 PHE 165 1.000 40.935 80.230 51.801 -99.200 -91.000