============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 21 1.000 70.038 63.337 7.219 -99.200 -91.000 HIS 36 0.900 58.468 68.600 3.051 -99.200 -91.000 TRP 37 1.040 59.645 59.951 8.505 -99.200 -91.000 TRP6 37 1.020 61.279 58.726 7.316 -99.200 -91.000 TYR 40 0.840 54.701 54.407 -0.927 -99.200 -91.000 PHE 50 1.000 67.649 67.304 5.480 -99.200 -91.000 TRP 55 1.040 76.928 78.861 -1.303 -99.200 -91.000 TRP6 55 1.020 76.103 77.162 -2.704 -99.200 -91.000 HIS 56 0.900 78.654 80.733 6.562 -99.200 -91.000 PHE 62 1.000 69.612 90.294 3.196 -99.200 -91.000 TYR 72 0.840 70.456 61.784 2.415 -99.200 -91.000 TRP 83 1.040 72.406 70.031 -3.738 -99.200 -91.000 TRP6 83 1.020 72.596 71.466 -5.592 -99.200 -91.000 TRP 84 1.040 65.333 69.468 -6.039 -99.200 -91.000 TRP6 84 1.020 64.936 67.713 -4.479 -99.200 -91.000 TYR 86 0.840 68.095 78.624 -7.359 -99.200 -91.000 PHE 109 1.000 61.421 62.604 12.578 -99.200 -91.000 TYR 110 0.840 65.617 63.292 22.812 -99.200 -91.000 TRP 115 1.040 65.716 58.976 20.594 -99.200 -91.000 TRP6 115 1.020 66.546 60.341 18.859 -99.200 -91.000 TRP 119 1.040 59.126 67.717 14.093 -99.200 -91.000 TRP6 119 1.020 59.329 67.368 16.422 -99.200 -91.000 TYR 138 0.840 79.720 46.159 7.383 -99.200 -91.000 TYR 145 0.840 73.343 63.139 11.308 -99.200 -91.000