============================================================================= 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 6 1.000 61.294 66.690 52.936 -99.200 -91.000 HIS 8 0.900 64.614 62.666 50.712 -99.200 -91.000 PHE 10 1.000 70.511 58.646 47.391 -99.200 -91.000 HIS 15 0.900 77.268 53.840 47.551 -99.200 -91.000 HIS 20 0.900 76.709 47.800 44.903 -99.200 -91.000 TYR 22 0.840 69.069 41.001 50.925 -99.200 -91.000 PHE 28 1.000 68.432 39.925 44.187 -99.200 -91.000 PHE 31 1.000 68.203 40.762 39.185 -99.200 -91.000 PHE 35 1.000 67.191 54.195 43.968 -99.200 -91.000 PHE 39 1.000 70.161 49.944 48.368 -99.200 -91.000 TRP 44 1.040 66.480 59.982 54.579 -99.200 -91.000 TRP6 44 1.020 68.364 59.846 53.161 -99.200 -91.000 TYR 52 0.840 54.639 68.823 61.817 -99.200 -91.000 HIS 68 0.900 61.747 50.490 40.966 -99.200 -91.000 TRP 94 1.040 53.664 59.792 55.405 -99.200 -91.000 TRP6 94 1.020 54.226 62.075 55.465 -99.200 -91.000 HIS 99 0.900 61.208 63.787 38.962 -99.200 -91.000 HIS 110 0.900 56.362 54.146 54.421 -99.200 -91.000 HIS 116 0.900 54.546 57.034 73.678 -99.200 -91.000 PHE 120 1.000 60.174 48.948 67.775 -99.200 -91.000