============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 4 1.000 69.175 88.319 44.139 -99.200 -91.000 PHE 20 1.000 64.167 98.545 42.365 -99.200 -91.000 TYR 26 0.840 63.096 97.600 54.031 -99.200 -91.000 HIS 35 0.900 67.602 81.227 49.641 -99.200 -91.000 TYR 50 0.840 79.730 112.635 36.092 -99.200 -91.000 PHE 57 1.000 85.838 118.012 27.647 -99.200 -91.000 PHE 63 1.000 89.622 108.996 31.434 -99.200 -91.000 PHE 66 1.000 90.171 102.023 33.231 -99.200 -91.000 TYR 87 0.840 83.535 92.971 52.460 -99.200 -91.000 PHE 94 1.000 84.751 88.295 39.434 -99.200 -91.000 TRP 95 1.040 90.778 88.397 45.747 -99.200 -91.000 TRP6 95 1.020 90.953 89.599 47.777 -99.200 -91.000 TRP 98 1.040 85.236 82.173 48.809 -99.200 -91.000 TRP6 98 1.020 86.717 82.195 50.652 -99.200 -91.000 HIS 112 0.900 90.893 95.852 33.853 -99.200 -91.000 HIS 115 0.900 83.862 93.363 31.297 -99.200 -91.000 PHE 127 1.000 85.986 83.497 42.538 -99.200 -91.000 TYR 143 0.840 58.992 91.344 26.078 -99.200 -91.000 PHE 207 1.000 61.087 83.389 50.694 -99.200 -91.000 HIS 214 0.900 60.591 84.328 36.750 -99.200 -91.000