============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 5 1.000 33.771 2.606 17.805 -99.200 -91.000 TYR 6 0.840 29.746 5.261 10.458 -99.200 -91.000 PHE 11 1.000 24.634 7.529 11.514 -99.200 -91.000 HIS 15 0.900 33.078 2.127 7.503 -99.200 -91.000 TYR 16 0.840 38.117 -0.737 13.953 -99.200 -91.000 HIS 22 0.900 39.035 -2.936 18.972 -99.200 -91.000 TYR 28 0.840 42.055 -0.359 14.690 -99.200 -91.000 PHE 29 1.000 37.565 5.361 16.046 -99.200 -91.000 TRP 42 1.040 29.006 -2.275 21.497 -99.200 -91.000 TRP6 42 1.020 31.097 -3.251 20.978 -99.200 -91.000 TYR 45 0.840 35.750 2.611 29.135 -99.200 -91.000 PHE 50 1.000 39.703 -1.226 28.075 -99.200 -91.000 TYR 55 0.840 31.376 9.599 26.431 -99.200 -91.000 PHE 56 1.000 24.318 1.125 28.159 -99.200 -91.000 TYR 62 0.840 23.772 5.759 20.185 -99.200 -91.000 TYR 65 0.840 30.474 15.597 20.583 -99.200 -91.000 TRP 68 1.040 28.818 9.167 22.427 -99.200 -91.000 TRP6 68 1.020 28.895 9.152 20.048 -99.200 -91.000 PHE 71 1.000 31.383 15.185 30.071 -99.200 -91.000 HIS 83 0.900 22.121 -12.198 28.821 -99.200 -91.000 HIS 87 0.900 21.266 -6.527 35.158 -99.200 -91.000 TYR 92 0.840 26.936 -1.293 51.496 -99.200 -91.000 TYR 97 0.840 32.356 -2.035 50.283 -99.200 -91.000 HIS 110 0.900 15.977 12.045 42.305 -99.200 -91.000 PHE 115 1.000 16.972 3.273 46.852 -99.200 -91.000 HIS 116 0.900 16.830 2.586 53.966 -99.200 -91.000 PHE 117 1.000 20.794 4.671 51.951 -99.200 -91.000 PHE 120 1.000 21.839 7.566 47.514 -99.200 -91.000 HIS 121 0.900 29.189 9.669 49.995 -99.200 -91.000 PHE 123 1.000 27.014 3.011 44.232 -99.200 -91.000 HIS 124 0.900 29.177 -6.999 47.219 -99.200 -91.000 TYR 129 0.840 29.273 -7.063 33.452 -99.200 -91.000 TRP 130 1.040 24.068 -3.155 38.284 -99.200 -91.000 TRP6 130 1.020 21.891 -2.566 39.024 -99.200 -91.000 TYR 133 0.840 23.326 6.744 33.474 -99.200 -91.000 TYR 138 0.840 17.980 5.859 34.302 -99.200 -91.000 TYR 143 0.840 31.183 8.337 36.914 -99.200 -91.000 TYR 150 0.840 32.753 -0.813 41.187 -99.200 -91.000 TYR 153 0.840 35.763 10.464 44.852 -99.200 -91.000 HIS 154 0.900 38.944 8.425 45.220 -99.200 -91.000 TRP 156 1.040 31.869 5.847 40.884 -99.200 -91.000 TRP6 156 1.020 31.462 5.466 43.182 -99.200 -91.000 PHE 172 1.000 16.647 0.270 24.893 -99.200 -91.000 TYR 173 0.840 12.563 -5.982 23.925 -99.200 -91.000