============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TYR 5 0.840 2.409 34.200 4.378 -99.200 -91.000 HIS 35 0.900 -7.334 34.030 13.682 -99.200 -91.000 TYR 44 0.840 15.180 17.980 12.452 -99.200 -91.000 TYR 57 0.840 12.984 15.759 -0.423 -99.200 -91.000 TYR 59 0.840 1.669 17.109 -1.696 -99.200 -91.000 TYR 69 0.840 5.281 16.851 -9.770 -99.200 -91.000 HIS 79 0.900 9.304 19.825 -10.477 -99.200 -91.000 TRP 87 1.040 2.133 21.812 4.857 -99.200 -91.000 TRP6 87 1.020 3.000 22.914 6.751 -99.200 -91.000 PHE 122 1.000 12.284 22.589 4.654 -99.200 -91.000 PHE 126 1.000 9.530 29.507 4.127 -99.200 -91.000 PHE 129 1.000 5.040 32.019 0.904 -99.200 -91.000 PHE 131 1.000 11.908 38.322 -4.496 -99.200 -91.000 PHE 138 1.000 8.820 35.911 3.754 -99.200 -91.000 HIS 142 0.900 19.819 34.341 10.574 -99.200 -91.000 PHE 195 1.000 30.743 44.911 9.213 -99.200 -91.000 HIS 197 0.900 23.185 45.181 3.481 -99.200 -91.000 HIS 207 0.900 18.953 41.018 28.786 -99.200 -91.000 TYR 213 0.840 6.683 31.049 31.102 -99.200 -91.000 TYR 227 0.840 10.593 46.012 11.741 -99.200 -91.000 PHE 228 1.000 7.415 41.478 13.879 -99.200 -91.000