============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 24 1.000 -0.312 70.522 35.800 -99.200 -91.000 PHE 27 1.000 0.757 72.931 32.184 -99.200 -91.000 TRP 38 1.040 9.359 67.020 39.384 -99.200 -91.000 TRP6 38 1.020 8.908 68.627 41.046 -99.200 -91.000 TRP 49 1.040 15.424 65.983 32.863 -99.200 -91.000 TRP6 49 1.020 15.835 63.683 32.511 -99.200 -91.000 HIS 52 0.900 10.252 66.068 30.713 -99.200 -91.000 TRP 54 1.040 7.138 62.859 27.696 -99.200 -91.000 TRP6 54 1.020 7.083 64.556 26.063 -99.200 -91.000 TRP 55 1.040 -0.724 62.867 25.959 -99.200 -91.000 TRP6 55 1.020 1.133 62.796 24.513 -99.200 -91.000 TYR 60 0.840 11.457 59.461 28.046 -99.200 -91.000 TYR 61 0.840 11.863 57.691 36.639 -99.200 -91.000 PHE 81 1.000 1.240 64.087 43.216 -99.200 -91.000 TYR 95 0.840 15.074 68.861 44.895 -99.200 -91.000 TYR 96 0.840 14.540 76.175 40.025 -99.200 -91.000 TYR 106 0.840 10.221 76.333 22.891 -99.200 -91.000 PHE 107 1.000 12.613 71.483 30.601 -99.200 -91.000 TYR 109 0.840 4.936 79.481 29.948 -99.200 -91.000 TRP 110 1.040 12.410 76.901 33.452 -99.200 -91.000 TRP6 110 1.020 14.151 75.528 34.259 -99.200 -91.000 TYR 129 0.840 34.331 82.440 69.185 -99.200 -91.000 TYR 145 0.840 25.207 80.439 61.286 -99.200 -91.000 PHE 146 1.000 20.657 73.018 60.712 -99.200 -91.000 TRP 154 1.040 29.923 95.129 61.126 -99.200 -91.000 TRP6 154 1.020 31.636 94.535 62.630 -99.200 -91.000 HIS 164 0.900 33.473 93.778 51.283 -99.200 -91.000 PHE 166 1.000 34.021 88.008 53.328 -99.200 -91.000 TYR 175 0.840 24.412 76.277 57.208 -99.200 -91.000 TRP 188 1.040 38.127 100.208 66.846 -99.200 -91.000 TRP6 188 1.020 40.193 99.080 66.701 -99.200 -91.000 HIS 199 0.900 20.810 80.704 64.675 -99.200 -91.000