============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. TRP 1 1.040 -30.376 -35.993 -2.121 -99.200 -91.000 TRP6 1 1.020 -31.202 -34.066 -1.006 -99.200 -91.000 TYR 3 0.840 -30.815 -29.360 1.292 -99.200 -91.000 TRP 17 1.040 -27.715 -31.811 -4.891 -99.200 -91.000 TRP6 17 1.020 -29.683 -30.534 -4.488 -99.200 -91.000 PHE 45 1.000 -53.924 -22.448 -6.221 -99.200 -91.000 PHE 46 1.000 -62.883 -22.648 -6.366 -99.200 -91.000 PHE 47 1.000 -56.632 -24.105 -0.899 -99.200 -91.000 TYR 50 0.840 -55.247 -27.924 1.491 -99.200 -91.000 TRP 56 1.040 -52.627 -33.674 9.451 -99.200 -91.000 TRP6 56 1.020 -53.546 -34.463 7.426 -99.200 -91.000 HIS 63 0.900 -32.151 -35.591 2.568 -99.200 -91.000 TYR 84 0.840 -52.107 -30.726 -10.384 -99.200 -91.000 HIS 90 0.900 -41.132 -30.619 1.385 -99.200 -91.000 HIS 92 0.900 -36.977 -27.042 1.250 -99.200 -91.000 TRP 93 1.040 -35.226 -25.288 9.301 -99.200 -91.000 TRP6 93 1.020 -36.349 -27.330 8.751 -99.200 -91.000 TYR 98 0.840 -33.790 -10.716 6.654 -99.200 -91.000 HIS 103 0.900 -39.598 -20.902 -5.277 -99.200 -91.000 HIS 109 0.900 -32.692 -15.097 -0.730 -99.200 -91.000 PHE 110 1.000 -40.166 -13.429 2.360 -99.200 -91.000 HIS 115 0.900 -41.020 -25.942 -1.106 -99.200 -91.000 HIS 118 0.900 -51.289 -29.917 -3.168 -99.200 -91.000 PHE 131 1.000 -49.178 -21.440 1.451 -99.200 -91.000 PHE 143 1.000 -47.105 -23.184 10.516 -99.200 -91.000 HIS 178 0.900 -52.945 -9.831 -5.176 -99.200 -91.000 TYR 179 0.840 -52.292 -17.849 -7.669 -99.200 -91.000 PHE 180 1.000 -45.384 -13.046 -7.443 -99.200 -91.000 TYR 182 0.840 -41.121 -21.068 -11.095 -99.200 -91.000 TRP 197 1.040 -41.973 -24.993 -8.417 -99.200 -91.000 TRP6 197 1.020 -41.818 -25.303 -6.088 -99.200 -91.000 PHE 200 1.000 -50.612 -19.470 -2.387 -99.200 -91.000 HIS 207 0.900 -42.453 -15.780 19.559 -99.200 -91.000 PHE 214 1.000 -40.442 -26.032 11.870 -99.200 -91.000 TYR 219 0.840 -30.038 -32.364 17.077 -99.200 -91.000 TYR 220 0.840 -29.005 -31.178 7.689 -99.200 -91.000