============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TYR 1 0.840 52.604 6.224 109.708 -99.200 -91.000 TYR 18 0.840 46.011 15.649 97.948 -99.200 -91.000 TYR 28 0.840 52.834 31.446 94.256 -99.200 -91.000 PHE 30 1.000 60.463 35.856 100.941 -99.200 -91.000 HIS 32 0.900 52.789 27.701 106.419 -99.200 -91.000 TYR 34 0.840 53.962 26.559 110.760 -99.200 -91.000 HIS 36 0.900 55.447 35.356 108.713 -99.200 -91.000 PHE 38 1.000 62.596 32.654 112.442 -99.200 -91.000 TYR 43 0.840 58.473 24.619 113.174 -99.200 -91.000 PHE 53 1.000 62.983 19.737 109.375 -99.200 -91.000 TYR 59 0.840 69.263 28.584 108.455 -99.200 -91.000 TRP 65 1.040 59.650 28.060 100.190 -99.200 -91.000 TRP6 65 1.020 60.973 28.804 98.360 -99.200 -91.000 PHE 68 1.000 62.914 23.958 110.305 -99.200 -91.000 HIS 80 0.900 64.164 11.344 96.425 -99.200 -91.000 PHE 83 1.000 70.495 13.399 89.321 -99.200 -91.000 HIS 92 0.900 62.076 6.315 108.347 -99.200 -91.000 HIS 97 0.900 58.638 17.977 98.365 -99.200 -91.000 HIS 100 0.900 63.465 20.087 96.592 -99.200 -91.000 PHE 102 1.000 68.410 23.757 97.867 -99.200 -91.000 TYR 114 0.840 68.184 19.072 106.317 -99.200 -91.000 PHE 123 1.000 55.784 26.333 116.830 -99.200 -91.000 TYR 134 0.840 54.258 15.427 118.997 -99.200 -91.000