============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 13 0.840 21.383 62.763 47.008 -99.200 -91.000 TYR 34 0.840 19.109 86.589 40.533 -99.200 -91.000 PHE 46 1.000 12.426 91.259 38.705 -99.200 -91.000 PHE 67 1.000 19.200 82.072 45.807 -99.200 -91.000 TYR 71 0.840 20.692 69.451 42.922 -99.200 -91.000 TYR 73 0.840 16.407 70.531 39.655 -99.200 -91.000 HIS 76 0.900 8.909 74.182 43.590 -99.200 -91.000 PHE 81 1.000 11.927 84.352 48.995 -99.200 -91.000 PHE 82 1.000 14.099 91.841 50.556 -99.200 -91.000 PHE 85 1.000 22.893 93.419 50.239 -99.200 -91.000 HIS 100 0.900 2.523 89.559 50.696 -99.200 -91.000 PHE 102 1.000 14.194 82.980 53.342 -99.200 -91.000 HIS 107 0.900 24.137 79.907 54.983 -99.200 -91.000 TYR 109 0.840 22.555 74.966 56.077 -99.200 -91.000 HIS 113 0.900 26.544 64.967 54.044 -99.200 -91.000 HIS 116 0.900 26.888 55.894 63.729 -99.200 -91.000 TYR 126 0.840 19.647 61.384 55.329 -99.200 -91.000 TRP 137 1.040 11.737 89.595 59.559 -99.200 -91.000 TRP6 137 1.020 11.389 91.016 61.418 -99.200 -91.000