============================================================================= 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. PHE 3 1.000 79.014 16.293 10.958 -99.200 -91.000 HIS 4 0.900 83.479 17.837 10.495 -99.200 -91.000 TYR 17 0.840 73.380 24.369 19.947 -99.200 -91.000 TYR 30 0.840 66.497 21.962 -0.437 -99.200 -91.000 TYR 46 0.840 62.965 9.114 -8.221 -99.200 -91.000 PHE 49 1.000 54.548 9.987 -1.105 -99.200 -91.000 PHE 50 1.000 53.250 17.733 3.364 -99.200 -91.000 TYR 51 0.840 62.084 15.279 3.784 -99.200 -91.000 TYR 55 0.840 65.684 14.358 7.801 -99.200 -91.000 TRP 62 1.040 80.194 8.608 11.547 -99.200 -91.000 TRP6 62 1.020 80.146 10.133 9.745 -99.200 -91.000 TYR 63 0.840 72.489 5.948 14.729 -99.200 -91.000 PHE 69 1.000 70.907 9.659 16.231 -99.200 -91.000 TYR 80 0.840 63.510 31.472 5.737 -99.200 -91.000 TRP 103 1.040 67.165 2.765 14.899 -99.200 -91.000 TRP6 103 1.020 67.304 2.113 17.160 -99.200 -91.000 TYR 114 0.840 50.880 23.870 19.952 -99.200 -91.000 PHE 115 1.000 55.412 21.918 19.417 -99.200 -91.000 TRP 118 1.040 53.436 18.362 22.783 -99.200 -91.000 TRP6 118 1.020 53.282 17.584 20.558 -99.200 -91.000 PHE 128 1.000 53.296 15.192 13.495 -99.200 -91.000 HIS 134 0.900 51.671 5.782 4.438 -99.200 -91.000 PHE 135 1.000 58.637 11.895 4.037 -99.200 -91.000 PHE 136 1.000 61.513 9.775 7.457 -99.200 -91.000 TYR 139 0.840 62.139 8.933 2.275 -99.200 -91.000 TRP 152 1.040 56.991 6.037 16.148 -99.200 -91.000 TRP6 152 1.020 58.089 8.031 15.526 -99.200 -91.000 TYR 169 0.840 82.385 14.689 15.198 -99.200 -91.000 PHE 173 1.000 84.443 12.832 11.335 -99.200 -91.000