============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 23 1.000 47.134 46.017 2.552 -99.200 -91.000 PHE 27 1.000 42.784 42.476 5.937 -99.200 -91.000 HIS 29 0.900 37.542 40.695 -2.618 -99.200 -91.000 PHE 30 1.000 41.134 35.643 6.110 -99.200 -91.000 PHE 33 1.000 37.722 33.750 8.105 -99.200 -91.000 TRP 47 1.040 55.908 20.846 24.560 -99.200 -91.000 TRP6 47 1.020 53.627 21.343 24.208 -99.200 -91.000 TRP 71 1.040 29.604 34.895 15.947 -99.200 -91.000 TRP6 71 1.020 29.231 33.481 17.811 -99.200 -91.000 TYR 73 0.840 38.783 32.038 20.634 -99.200 -91.000 PHE 85 1.000 50.616 24.728 20.367 -99.200 -91.000 HIS 90 0.900 41.318 33.623 11.919 -99.200 -91.000 TYR 97 0.840 43.001 37.522 1.572 -99.200 -91.000 PHE 99 1.000 53.043 34.972 4.617 -99.200 -91.000 PHE 105 1.000 54.126 45.615 -3.723 -99.200 -91.000 TYR 111 0.840 62.016 48.811 -12.082 -99.200 -91.000 PHE 112 1.000 59.335 39.434 -7.811 -99.200 -91.000 PHE 129 1.000 57.520 38.127 10.262 -99.200 -91.000 PHE 136 1.000 48.883 41.190 9.152 -99.200 -91.000 PHE 140 1.000 49.457 48.074 16.295 -99.200 -91.000 TRP 147 1.040 48.330 44.420 13.857 -99.200 -91.000 TRP6 147 1.020 48.909 43.445 15.930 -99.200 -91.000 TYR 154 0.840 43.230 39.061 13.321 -99.200 -91.000 PHE 167 1.000 59.214 46.967 12.167 -99.200 -91.000 HIS 168 0.900 53.236 45.419 13.470 -99.200 -91.000 TYR 169 0.840 52.116 49.481 20.398 -99.200 -91.000 HIS 177 0.900 53.441 61.450 3.516 -99.200 -91.000 TYR 181 0.840 53.382 52.310 6.447 -99.200 -91.000 PHE 190 1.000 62.684 44.528 -6.552 -99.200 -91.000 HIS 200 0.900 75.872 38.508 -6.525 -99.200 -91.000 PHE 210 1.000 62.438 49.676 -6.107 -99.200 -91.000 TYR 217 0.840 57.094 60.679 -0.718 -99.200 -91.000 HIS 227 0.900 57.585 64.184 9.852 -99.200 -91.000 PHE 229 1.000 69.092 63.504 12.219 -99.200 -91.000 PHE 231 1.000 67.266 56.824 3.045 -99.200 -91.000 HIS 248 0.900 57.880 37.024 15.314 -99.200 -91.000 HIS 259 0.900 49.203 22.254 17.608 -99.200 -91.000 PHE 261 1.000 51.201 27.044 12.817 -99.200 -91.000 PHE 270 1.000 57.352 31.974 6.502 -99.200 -91.000 HIS 278 0.900 60.924 26.580 -2.824 -99.200 -91.000 HIS 282 0.900 57.286 26.996 -11.831 -99.200 -91.000