============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 27 1.000 5.505 14.922 34.129 -99.200 -91.000 PHE 29 1.000 5.525 10.827 38.771 -99.200 -91.000 TYR 32 0.840 0.847 14.229 32.556 -99.200 -91.000 TRP 36 1.040 8.757 1.468 34.754 -99.200 -91.000 TRP6 36 1.020 10.932 2.435 34.716 -99.200 -91.000 TRP 47 1.040 2.442 -1.271 28.830 -99.200 -91.000 TRP6 47 1.020 0.960 -2.991 29.530 -99.200 -91.000 TYR 57 0.840 -5.037 -0.022 35.109 -99.200 -91.000 TYR 60 0.840 2.410 -5.259 36.760 -99.200 -91.000 PHE 68 1.000 9.949 -6.976 34.743 -99.200 -91.000 TYR 80 0.840 10.440 4.626 43.217 -99.200 -91.000 TYR 94 0.840 13.603 -3.271 31.149 -99.200 -91.000 PHE 95 1.000 13.505 3.722 25.579 -99.200 -91.000 HIS 99 0.900 -2.214 7.527 28.471 -99.200 -91.000 TYR 102 0.840 -7.542 17.611 33.017 -99.200 -91.000 TYR 104 0.840 -1.956 15.281 23.496 -99.200 -91.000 PHE 105 1.000 -2.148 5.264 25.505 -99.200 -91.000 PHE 106 1.000 3.256 4.641 26.297 -99.200 -91.000 TRP 109 1.040 8.470 7.636 24.363 -99.200 -91.000 TRP6 109 1.020 8.514 5.284 24.122 -99.200 -91.000 TYR 128 0.840 44.061 -8.409 20.789 -99.200 -91.000 TYR 151 0.840 33.240 -4.978 24.541 -99.200 -91.000 PHE 152 1.000 28.236 -9.582 29.736 -99.200 -91.000 TRP 160 1.040 39.729 5.781 15.585 -99.200 -91.000 TRP6 160 1.020 41.491 4.218 15.327 -99.200 -91.000 HIS 170 0.900 32.566 4.015 8.138 -99.200 -91.000 PHE 172 1.000 32.554 -1.371 10.837 -99.200 -91.000 TYR 181 0.840 28.198 -7.913 24.119 -99.200 -91.000 TRP 194 1.040 49.772 5.406 10.755 -99.200 -91.000 TRP6 194 1.020 50.373 3.546 9.434 -99.200 -91.000 HIS 205 0.900 34.060 -2.974 29.739 -99.200 -91.000