============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 59 rings ring int. center anis. iso. PHE 1 1.000 18.122 -36.935 -8.064 -99.200 -91.000 TRP 10 1.040 33.965 -23.605 -2.802 -99.200 -91.000 TRP6 10 1.020 32.125 -22.304 -3.486 -99.200 -91.000 HIS 12 0.900 36.025 -28.203 -3.752 -99.200 -91.000 TYR 23 0.840 46.105 -22.193 -1.557 -99.200 -91.000 HIS 31 0.900 43.703 -26.499 -14.106 -99.200 -91.000 TYR 32 0.840 36.395 -26.807 -17.372 -99.200 -91.000 TRP 41 1.040 40.838 -28.550 -23.284 -99.200 -91.000 TRP6 41 1.020 40.687 -27.196 -21.350 -99.200 -91.000 TRP 52 1.040 49.572 -29.509 -26.316 -99.200 -91.000 TRP6 52 1.020 51.250 -29.189 -27.931 -99.200 -91.000 TYR 53 0.840 45.608 -29.057 -22.357 -99.200 -91.000 TYR 56 0.840 53.158 -32.936 -26.070 -99.200 -91.000 HIS 64 0.900 49.840 -37.662 -5.768 -99.200 -91.000 TRP 67 1.040 49.227 -35.037 -10.673 -99.200 -91.000 TRP6 67 1.020 51.423 -34.911 -9.809 -99.200 -91.000 PHE 70 1.000 51.579 -27.659 -4.902 -99.200 -91.000 TYR 78 0.840 44.784 -10.452 -8.955 -99.200 -91.000 TYR 81 0.840 52.071 -11.960 -7.248 -99.200 -91.000 TYR 91 0.840 63.416 -2.605 -0.639 -99.200 -91.000 PHE 96 1.000 64.783 0.105 -9.979 -99.200 -91.000 PHE 99 1.000 70.816 2.901 -3.944 -99.200 -91.000 HIS 104 0.900 74.557 2.764 -8.028 -99.200 -91.000 TRP 112 1.040 78.773 -2.262 -12.778 -99.200 -91.000 TRP6 112 1.020 79.270 -4.555 -12.539 -99.200 -91.000 HIS 114 0.900 82.289 -0.180 -22.053 -99.200 -91.000 TYR 120 0.840 71.062 -5.717 -15.038 -99.200 -91.000 TYR 125 0.840 66.444 -10.464 -26.109 -99.200 -91.000 PHE 127 1.000 65.999 -12.154 -15.391 -99.200 -91.000 HIS 128 0.900 58.980 -12.718 -23.071 -99.200 -91.000 TYR 136 0.840 53.677 -26.323 -22.477 -99.200 -91.000 TRP 160 1.040 62.496 -11.886 -11.091 -99.200 -91.000 TRP6 160 1.020 63.274 -14.115 -11.215 -99.200 -91.000 HIS 163 0.900 62.525 -5.722 -10.602 -99.200 -91.000 TYR 166 0.840 63.361 2.562 -13.996 -99.200 -91.000 HIS 169 0.900 65.633 5.001 -20.845 -99.200 -91.000 TYR 175 0.840 78.229 4.985 -17.096 -99.200 -91.000 HIS 183 0.900 75.103 -2.476 -30.173 -99.200 -91.000 TRP 188 1.040 68.567 -14.637 -26.430 -99.200 -91.000 TRP6 188 1.020 68.805 -15.728 -24.366 -99.200 -91.000 TRP 194 1.040 74.542 -12.985 -23.001 -99.200 -91.000 TRP6 194 1.020 73.132 -13.120 -21.112 -99.200 -91.000 PHE 208 1.000 56.146 -28.160 -27.165 -99.200 -91.000 TRP 210 1.040 52.135 -32.643 -15.879 -99.200 -91.000 TRP6 210 1.020 52.848 -31.841 -13.769 -99.200 -91.000 PHE 214 1.000 57.673 -29.008 -10.916 -99.200 -91.000 PHE 230 1.000 68.329 -13.723 -10.251 -99.200 -91.000 TRP 238 1.040 81.122 -5.561 -1.691 -99.200 -91.000 TRP6 238 1.020 83.342 -6.287 -1.321 -99.200 -91.000 HIS 259 0.900 59.478 -17.717 -8.783 -99.200 -91.000 TRP 262 1.040 55.853 -22.701 -7.064 -99.200 -91.000 TRP6 262 1.020 55.411 -24.424 -8.617 -99.200 -91.000 HIS 269 0.900 50.514 -34.004 -3.627 -99.200 -91.000 HIS 277 0.900 64.359 -40.746 -5.997 -99.200 -91.000 TRP 283 1.040 61.797 -36.039 -17.450 -99.200 -91.000 TRP6 283 1.020 59.605 -35.961 -16.581 -99.200 -91.000 TRP 287 1.040 65.711 -31.288 -19.360 -99.200 -91.000 TRP6 287 1.020 65.603 -29.825 -21.236 -99.200 -91.000 TYR 298 0.840 75.930 -14.697 -16.825 -99.200 -91.000