============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. HIS 3 0.900 19.792 -25.648 22.412 -99.200 -91.000 TYR 7 0.840 9.032 -37.156 24.053 -99.200 -91.000 PHE 8 1.000 12.276 -38.810 16.084 -99.200 -91.000 PHE 9 1.000 5.713 -41.291 20.834 -99.200 -91.000 PHE 22 1.000 4.160 -47.019 21.632 -99.200 -91.000 TYR 27 0.840 16.525 -39.260 19.425 -99.200 -91.000 PHE 33 1.000 14.501 -36.736 26.824 -99.200 -91.000 PHE 36 1.000 6.663 -48.544 26.941 -99.200 -91.000 TRP 51 1.040 21.048 -34.851 30.090 -99.200 -91.000 TRP6 51 1.020 18.808 -34.756 29.347 -99.200 -91.000 TYR 59 0.840 10.421 -37.046 33.639 -99.200 -91.000 TRP 60 1.040 12.121 -41.414 36.039 -99.200 -91.000 TRP6 60 1.020 12.766 -41.523 33.765 -99.200 -91.000 HIS 70 0.900 1.795 -40.783 23.561 -99.200 -91.000 HIS 74 0.900 1.224 -44.670 17.509 -99.200 -91.000 TYR 84 0.840 -9.746 -44.639 8.277 -99.200 -91.000 TYR 85 0.840 -4.783 -46.739 3.654 -99.200 -91.000 HIS 93 0.900 -0.447 -53.480 6.729 -99.200 -91.000 TYR 99 0.840 4.433 -35.955 20.513 -99.200 -91.000 TRP 107 1.040 17.569 -21.795 25.384 -99.200 -91.000 TRP6 107 1.020 18.025 -22.723 27.510 -99.200 -91.000 PHE 109 1.000 6.135 -22.856 19.161 -99.200 -91.000 TYR 113 0.840 9.076 -30.453 14.973 -99.200 -91.000 HIS 114 0.900 0.575 -34.959 15.934 -99.200 -91.000 TYR 116 0.840 -0.555 -41.667 12.598 -99.200 -91.000 TYR 118 0.840 -1.169 -48.129 7.579 -99.200 -91.000 TYR 123 0.840 -3.553 -41.606 7.571 -99.200 -91.000 TRP 133 1.040 -5.356 -31.467 11.457 -99.200 -91.000 TRP6 133 1.020 -3.748 -32.492 12.851 -99.200 -91.000 HIS 145 0.900 -13.270 -34.845 6.006 -99.200 -91.000 TRP 147 1.040 -7.209 -36.832 14.493 -99.200 -91.000 TRP6 147 1.020 -4.914 -37.023 13.964 -99.200 -91.000 HIS 151 0.900 -12.963 -28.087 18.206 -99.200 -91.000 TYR 159 0.840 3.503 -31.979 24.022 -99.200 -91.000 TRP 167 1.040 8.114 -30.225 31.674 -99.200 -91.000 TRP6 167 1.020 9.167 -31.263 33.518 -99.200 -91.000 TYR 171 0.840 13.350 -32.759 29.747 -99.200 -91.000 HIS 188 0.900 41.594 -38.692 10.341 -99.200 -91.000 HIS 191 0.900 47.485 -40.522 -1.248 -99.200 -91.000 HIS 192 0.900 43.931 -45.584 2.791 -99.200 -91.000 HIS 197 0.900 45.723 -45.589 -13.233 -99.200 -91.000 TRP 204 1.040 38.546 -40.385 7.867 -99.200 -91.000 TRP6 204 1.020 37.065 -42.042 8.663 -99.200 -91.000 PHE 208 1.000 30.327 -34.719 13.131 -99.200 -91.000 TYR 209 0.840 25.288 -32.943 20.707 -99.200 -91.000 TRP 217 1.040 37.013 -34.514 -0.605 -99.200 -91.000 TRP6 217 1.020 39.315 -34.042 -0.325 -99.200 -91.000 PHE 241 1.000 25.411 -37.716 16.184 -99.200 -91.000 TRP 244 1.040 34.047 -42.251 5.628 -99.200 -91.000 TRP6 244 1.020 33.871 -42.733 3.316 -99.200 -91.000 TYR 257 0.840 41.135 -33.559 -6.271 -99.200 -91.000 HIS 260 0.900 36.780 -25.842 1.116 -99.200 -91.000 HIS 263 0.900 29.750 -29.368 14.293 -99.200 -91.000 TRP 274 1.040 48.224 -36.001 0.875 -99.200 -91.000 TRP6 274 1.020 47.770 -37.465 2.680 -99.200 -91.000