============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 3 1.000 104.649 90.601 52.182 -99.200 -91.000 TYR 13 0.840 85.562 86.984 37.402 -99.200 -91.000 PHE 18 1.000 93.973 97.008 35.279 -99.200 -91.000 PHE 26 1.000 92.758 101.532 29.265 -99.200 -91.000 TYR 35 0.840 96.692 100.913 32.174 -99.200 -91.000 TRP 41 1.040 104.379 94.978 48.854 -99.200 -91.000 TRP6 41 1.020 104.339 95.474 46.538 -99.200 -91.000 TYR 50 0.840 108.624 95.595 49.946 -99.200 -91.000 HIS 57 0.900 100.448 78.246 40.113 -99.200 -91.000 PHE 66 1.000 102.220 83.242 29.336 -99.200 -91.000 HIS 68 0.900 99.863 86.099 32.404 -99.200 -91.000 TRP 69 1.040 105.105 92.945 35.447 -99.200 -91.000 TRP6 69 1.020 103.875 94.426 36.846 -99.200 -91.000 HIS 76 0.900 109.135 104.095 47.765 -99.200 -91.000 PHE 99 1.000 111.302 79.140 23.951 -99.200 -91.000 TYR 119 0.840 100.176 93.125 33.279 -99.200 -91.000 HIS 128 0.900 93.375 80.327 32.600 -99.200 -91.000 HIS 129 0.900 90.597 81.301 40.849 -99.200 -91.000 TYR 130 0.840 95.456 84.955 35.129 -99.200 -91.000 TYR 135 0.840 109.279 85.957 46.061 -99.200 -91.000 PHE 148 1.000 115.262 90.296 35.637 -99.200 -91.000 PHE 149 1.000 114.959 84.049 30.105 -99.200 -91.000 HIS 154 0.900 112.196 82.467 42.701 -99.200 -91.000 HIS 159 0.900 120.551 88.546 49.867 -99.200 -91.000 PHE 168 1.000 95.068 88.795 38.909 -99.200 -91.000 TYR 170 0.840 91.130 89.568 32.105 -99.200 -91.000 PHE 173 1.000 91.175 86.961 23.550 -99.200 -91.000