============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 9 1.000 68.955 62.505 106.416 -99.200 -91.000 PHE 14 1.000 78.696 57.231 112.815 -99.200 -91.000 TYR 18 0.840 77.605 63.758 106.042 -99.200 -91.000 TYR 22 0.840 84.683 60.013 108.069 -99.200 -91.000 TYR 28 0.840 75.150 49.096 120.066 -99.200 -91.000 PHE 30 1.000 77.837 59.889 117.657 -99.200 -91.000 TYR 37 0.840 77.663 64.614 128.045 -99.200 -91.000 TYR 49 0.840 63.182 72.442 111.581 -99.200 -91.000 PHE 52 1.000 59.400 68.328 113.082 -99.200 -91.000 HIS 55 0.900 69.536 71.438 117.509 -99.200 -91.000 PHE 57 1.000 73.585 72.750 121.132 -99.200 -91.000 PHE 61 1.000 80.992 60.879 122.055 -99.200 -91.000 TYR 78 0.840 92.441 77.538 97.456 -99.200 -91.000 TYR 83 0.840 72.083 71.949 90.110 -99.200 -91.000 TRP 97 1.040 82.211 70.512 97.507 -99.200 -91.000 TRP6 97 1.020 80.471 70.471 95.881 -99.200 -91.000 PHE 98 1.000 86.000 76.733 101.348 -99.200 -91.000 TYR 113 0.840 81.294 73.235 122.953 -99.200 -91.000 TYR 119 0.840 63.926 65.767 112.385 -99.200 -91.000 TRP 147 1.040 62.601 62.914 122.123 -99.200 -91.000 TRP6 147 1.020 61.888 64.775 120.821 -99.200 -91.000 TYR 148 0.840 64.217 56.421 116.632 -99.200 -91.000 PHE 159 1.000 76.017 79.818 119.056 -99.200 -91.000 TYR 187 0.840 65.751 81.337 102.219 -99.200 -91.000 PHE 193 1.000 76.932 80.053 109.874 -99.200 -91.000 TRP 194 1.040 74.467 77.958 106.240 -99.200 -91.000 TRP6 194 1.020 76.260 76.396 106.205 -99.200 -91.000 HIS 197 0.900 80.083 81.436 108.372 -99.200 -91.000