============================================================================= 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. HIS 16 0.900 22.099 54.836 31.583 -99.200 -91.000 PHE 18 1.000 17.703 62.208 40.124 -99.200 -91.000 PHE 31 1.000 20.895 69.316 54.521 -99.200 -91.000 TYR 44 0.840 19.345 57.200 42.576 -99.200 -91.000 PHE 56 1.000 26.347 68.866 42.540 -99.200 -91.000 HIS 58 0.900 24.695 73.686 42.721 -99.200 -91.000 HIS 61 0.900 32.510 76.784 53.227 -99.200 -91.000 PHE 62 1.000 28.055 67.462 51.492 -99.200 -91.000 PHE 76 1.000 11.458 67.085 58.628 -99.200 -91.000 TYR 78 0.840 12.870 62.638 56.084 -99.200 -91.000 TRP 86 1.040 19.481 62.778 58.423 -99.200 -91.000 TRP6 86 1.020 20.449 64.502 57.181 -99.200 -91.000 TRP 106 1.040 30.589 73.079 60.710 -99.200 -91.000 TRP6 106 1.020 32.826 72.338 60.595 -99.200 -91.000 PHE 126 1.000 35.068 65.639 56.547 -99.200 -91.000 HIS 128 0.900 29.148 63.489 64.230 -99.200 -91.000 PHE 145 1.000 33.300 59.200 63.350 -99.200 -91.000 TRP 151 1.040 33.082 52.724 71.859 -99.200 -91.000 TRP6 151 1.020 30.766 52.715 71.373 -99.200 -91.000 TYR 156 0.840 38.177 62.961 65.724 -99.200 -91.000 PHE 163 1.000 36.507 64.161 61.587 -99.200 -91.000 TYR 189 0.840 35.899 56.150 43.312 -99.200 -91.000 PHE 209 1.000 21.632 49.471 52.190 -99.200 -91.000