============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 70 rings ring int. center anis. iso. PHE 10 1.000 135.564 13.707 81.043 -99.200 -91.000 TYR 11 0.840 134.696 15.772 71.848 -99.200 -91.000 PHE 19 1.000 130.590 22.081 74.285 -99.200 -91.000 PHE 21 1.000 119.255 23.748 77.413 -99.200 -91.000 PHE 25 1.000 126.060 9.997 68.592 -99.200 -91.000 HIS 26 0.900 126.488 16.630 60.354 -99.200 -91.000 HIS 30 0.900 134.207 13.064 52.401 -99.200 -91.000 PHE 54 1.000 131.009 26.107 70.643 -99.200 -91.000 TRP 58 1.040 136.093 9.188 67.740 -99.200 -91.000 TRP6 58 1.020 135.602 9.273 70.048 -99.200 -91.000 PHE 70 1.000 124.331 28.271 62.462 -99.200 -91.000 PHE 87 1.000 114.081 43.569 68.198 -99.200 -91.000 TRP 100 1.040 117.292 14.009 57.252 -99.200 -91.000 TRP6 100 1.020 117.318 14.967 55.103 -99.200 -91.000 TRP 110 1.040 113.555 31.003 75.077 -99.200 -91.000 TRP6 110 1.020 115.320 29.513 75.541 -99.200 -91.000 HIS 112 0.900 112.080 37.993 72.851 -99.200 -91.000 TRP 113 1.040 108.242 39.084 64.085 -99.200 -91.000 TRP6 113 1.020 109.455 39.460 62.099 -99.200 -91.000 PHE 131 1.000 119.910 31.452 63.536 -99.200 -91.000 TYR 143 0.840 110.172 26.440 58.977 -99.200 -91.000 TYR 155 0.840 97.945 38.798 66.608 -99.200 -91.000 PHE 160 1.000 94.475 38.872 72.856 -99.200 -91.000 TRP 162 1.040 93.406 30.959 63.753 -99.200 -91.000 TRP6 162 1.020 93.956 28.695 63.316 -99.200 -91.000 TYR 166 0.840 102.134 35.699 72.695 -99.200 -91.000 PHE 171 1.000 110.675 24.752 75.135 -99.200 -91.000 TYR 189 0.840 98.040 27.960 66.779 -99.200 -91.000 TYR 190 0.840 97.586 34.897 75.128 -99.200 -91.000 PHE 191 1.000 102.304 32.076 76.615 -99.200 -91.000 PHE 204 1.000 119.605 24.416 53.628 -99.200 -91.000 TYR 207 0.840 117.497 32.594 54.654 -99.200 -91.000 TRP 214 1.040 111.155 32.324 53.811 -99.200 -91.000 TRP6 214 1.020 112.323 32.946 55.758 -99.200 -91.000 HIS 215 0.900 103.951 33.634 51.526 -99.200 -91.000 PHE 223 1.000 94.830 21.779 61.996 -99.200 -91.000 TYR 230 0.840 94.217 19.969 73.322 -99.200 -91.000 PHE 231 1.000 91.945 27.826 76.838 -99.200 -91.000 TYR 234 0.840 103.594 25.950 79.142 -99.200 -91.000 TRP 235 1.040 99.892 19.232 71.533 -99.200 -91.000 TRP6 235 1.020 100.272 19.532 69.230 -99.200 -91.000 TYR 237 0.840 108.863 21.677 78.406 -99.200 -91.000 PHE 244 1.000 104.180 5.040 67.859 -99.200 -91.000 TYR 253 0.840 104.521 14.773 62.295 -99.200 -91.000 TRP 260 1.040 95.879 18.384 77.087 -99.200 -91.000 TRP6 260 1.020 94.545 16.644 77.971 -99.200 -91.000 TRP 262 1.040 92.486 23.563 84.453 -99.200 -91.000 TRP6 262 1.020 90.988 22.649 82.878 -99.200 -91.000 TYR 273 0.840 97.176 14.993 55.623 -99.200 -91.000 TYR 274 0.840 100.561 19.164 62.261 -99.200 -91.000 HIS 278 0.900 95.806 5.901 72.812 -99.200 -91.000 TYR 288 0.840 106.659 20.554 83.144 -99.200 -91.000 PHE 289 1.000 102.419 10.967 80.829 -99.200 -91.000 HIS 291 0.900 111.674 17.537 80.855 -99.200 -91.000 HIS 304 0.900