============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TYR 36 0.840 5.268 74.539 29.793 -99.200 -91.000 PHE 41 1.000 0.016 71.785 32.763 -99.200 -91.000 TRP 46 1.040 10.063 78.163 37.949 -99.200 -91.000 TRP6 46 1.020 10.363 79.808 39.603 -99.200 -91.000 HIS 50 0.900 16.508 74.154 33.307 -99.200 -91.000 PHE 51 1.000 14.367 83.381 37.989 -99.200 -91.000 PHE 78 1.000 10.708 77.179 44.806 -99.200 -91.000 PHE 80 1.000 18.525 75.012 43.079 -99.200 -91.000 TYR 96 0.840 17.399 72.107 48.361 -99.200 -91.000 PHE 117 1.000 20.278 59.712 49.820 -99.200 -91.000 TYR 129 0.840 8.498 77.893 57.144 -99.200 -91.000 HIS 131 0.900 3.908 68.070 55.918 -99.200 -91.000 HIS 133 0.900 4.186 78.499 56.734 -99.200 -91.000 HIS 142 0.900 15.495 63.220 39.950 -99.200 -91.000 PHE 144 1.000 19.294 63.031 35.891 -99.200 -91.000 HIS 145 0.900 25.576 59.911 37.304 -99.200 -91.000 TYR 194 0.840 9.140 49.007 53.763 -99.200 -91.000 PHE 218 1.000 3.920 46.824 36.644 -99.200 -91.000 PHE 224 1.000 7.798 65.275 36.674 -99.200 -91.000 HIS 249 0.900 -8.530 55.280 35.353 -99.200 -91.000