============================================================================= 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 1 1.000 127.085 83.640 -63.544 -99.200 -91.000 PHE 4 1.000 129.446 91.986 -58.819 -99.200 -91.000 TYR 27 0.840 115.716 71.418 -45.382 -99.200 -91.000 TYR 43 0.840 118.320 61.974 -28.760 -99.200 -91.000 TYR 47 0.840 115.246 56.538 -23.027 -99.200 -91.000 TYR 49 0.840 120.159 49.305 -30.564 -99.200 -91.000 HIS 50 0.900 122.199 54.478 -22.048 -99.200 -91.000 PHE 53 1.000 124.944 49.553 -19.920 -99.200 -91.000 TYR 55 0.840 117.591 41.456 -19.382 -99.200 -91.000 PHE 56 1.000 121.034 41.229 -22.919 -99.200 -91.000 PHE 69 1.000 125.860 45.053 -30.686 -99.200 -91.000 PHE 70 1.000 121.961 44.783 -27.339 -99.200 -91.000 HIS 80 0.900 123.863 55.933 -36.642 -99.200 -91.000 TYR 87 0.840 121.135 67.610 -44.526 -99.200 -91.000 PHE 107 1.000 115.098 44.679 -23.713 -99.200 -91.000 HIS 109 0.900 111.194 34.385 -26.223 -99.200 -91.000 HIS 117 0.900 112.811 38.753 -27.050 -99.200 -91.000 HIS 137 0.900 116.568 58.476 -51.419 -99.200 -91.000 PHE 151 1.000 122.712 64.056 -43.986 -99.200 -91.000 TYR 156 0.840 121.895 59.268 -41.196 -99.200 -91.000 TYR 170 0.840 127.017 40.733 -33.688 -99.200 -91.000 HIS 181 0.900 130.659 25.894 -22.872 -99.200 -91.000 TRP 184 1.040 130.115 32.739 -20.136 -99.200 -91.000 TRP6 184 1.020 132.247 31.825 -20.603 -99.200 -91.000 HIS 185 0.900 133.312 29.893 -26.995 -99.200 -91.000 PHE 186 1.000 127.256 36.098 -30.312 -99.200 -91.000 HIS 192 0.900 137.704 39.416 -24.423 -99.200 -91.000