============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 2 0.840 9.139 25.706 7.182 -99.200 -91.000 PHE 8 1.000 16.419 18.604 7.164 -99.200 -91.000 TRP 15 1.040 17.159 10.461 13.106 -99.200 -91.000 TRP6 15 1.020 16.335 8.961 14.749 -99.200 -91.000 PHE 21 1.000 24.612 13.949 26.756 -99.200 -91.000 TRP 23 1.040 20.623 13.318 17.785 -99.200 -91.000 TRP6 23 1.020 20.399 15.188 16.335 -99.200 -91.000 TRP 24 1.040 13.442 11.903 21.920 -99.200 -91.000 TRP6 24 1.020 11.853 10.367 22.737 -99.200 -91.000 TRP 31 1.040 2.540 29.667 9.446 -99.200 -91.000 TRP6 31 1.020 0.822 30.728 10.713 -99.200 -91.000 TRP 45 1.040 6.616 26.499 13.577 -99.200 -91.000 TRP6 45 1.020 6.638 26.523 15.949 -99.200 -91.000 TRP 48 1.040 8.942 17.084 19.013 -99.200 -91.000 TRP6 48 1.020 11.211 16.794 18.331 -99.200 -91.000 PHE 49 1.000 6.712 10.750 12.657 -99.200 -91.000 PHE 54 1.000 2.126 20.800 16.118 -99.200 -91.000 PHE 68 1.000 16.697 4.018 11.975 -99.200 -91.000 HIS 71 0.900 21.886 11.795 13.957 -99.200 -91.000 PHE 72 1.000 17.296 2.490 17.139 -99.200 -91.000 PHE 77 1.000 13.319 0.085 20.235 -99.200 -91.000 TYR 83 0.840 14.305 6.339 20.728 -99.200 -91.000 TYR 88 0.840 3.967 1.059 14.508 -99.200 -91.000 HIS 89 0.900 2.474 5.714 16.056 -99.200 -91.000 PHE 102 1.000 9.131 -3.805 6.914 -99.200 -91.000 TRP 120 1.040 12.885 -0.694 4.678 -99.200 -91.000 TRP6 120 1.020 11.492 1.121 5.285 -99.200 -91.000 HIS 122 0.900 19.633 0.088 12.911 -99.200 -91.000 PHE 125 1.000 15.244 4.107 6.206 -99.200 -91.000