============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 36 0.840 9.249 -6.156 84.134 -99.200 -91.000 TRP 39 1.040 10.704 -20.102 82.579 -99.200 -91.000 TRP6 39 1.020 12.704 -21.223 82.035 -99.200 -91.000 TYR 40 0.840 7.531 -16.570 75.512 -99.200 -91.000 TYR 53 0.840 1.744 -13.940 83.079 -99.200 -91.000 TRP 54 1.040 5.172 -9.601 85.345 -99.200 -91.000 TRP6 54 1.020 2.896 -9.022 85.566 -99.200 -91.000 PHE 66 1.000 4.487 -27.476 81.675 -99.200 -91.000 PHE 75 1.000 14.747 -15.069 86.908 -99.200 -91.000 TYR 90 0.840 9.545 -27.074 77.569 -99.200 -91.000 TYR 91 0.840 13.802 -21.558 72.264 -99.200 -91.000 PHE 101 1.000 12.592 -14.889 72.543 -99.200 -91.000 PHE 121 1.000 6.297 -47.791 50.817 -99.200 -91.000 PHE 138 1.000 7.710 -44.986 57.235 -99.200 -91.000 PHE 142 1.000 13.026 -46.134 64.136 -99.200 -91.000 TYR 143 0.840 13.492 -44.514 72.876 -99.200 -91.000 TRP 151 1.040 18.839 -49.155 50.861 -99.200 -91.000 TRP6 151 1.020 16.828 -49.562 49.691 -99.200 -91.000 TRP 166 1.040 16.244 -41.520 62.407 -99.200 -91.000 TRP6 166 1.020 18.176 -41.744 61.075 -99.200 -91.000 TYR 176 0.840 13.322 -40.623 67.965 -99.200 -91.000 TYR 189 0.840 13.758 -50.040 39.581 -99.200 -91.000 HIS 192 0.900 21.777 -53.457 39.093 -99.200 -91.000 TYR 195 0.840 16.476 -52.751 42.714 -99.200 -91.000 HIS 201 0.900 15.950 -50.216 67.229 -99.200 -91.000 PHE 212 1.000 11.648 -53.450 45.056 -99.200 -91.000