============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. PHE 8 1.000 -2.591 9.157 17.528 -99.200 -91.000 TYR 24 0.840 3.712 6.079 32.933 -99.200 -91.000 TRP 39 1.040 8.410 6.479 18.208 -99.200 -91.000 TRP6 39 1.020 7.142 8.334 18.929 -99.200 -91.000 PHE 44 1.000 12.664 -5.212 2.665 -99.200 -91.000 TRP 62 1.040 22.999 10.355 14.001 -99.200 -91.000 TRP6 62 1.020 24.805 8.837 14.069 -99.200 -91.000 HIS 68 0.900 19.303 -9.058 19.010 -99.200 -91.000 TYR 72 0.840 23.721 -13.966 18.818 -99.200 -91.000 TRP 74 1.040 21.332 -17.588 16.547 -99.200 -91.000 TRP6 74 1.020 19.528 -16.194 17.156 -99.200 -91.000 PHE 78 1.000 22.147 -9.193 8.189 -99.200 -91.000 HIS 90 0.900 -0.935 0.494 9.731 -99.200 -91.000 TYR 95 0.840 7.327 1.868 -2.225 -99.200 -91.000 TYR 109 0.840 29.146 5.260 13.608 -99.200 -91.000 HIS 111 0.900 28.734 0.086 24.400 -99.200 -91.000 TYR 114 0.840 26.427 -7.215 20.685 -99.200 -91.000 TRP 116 1.040 29.958 -10.861 19.955 -99.200 -91.000 TRP6 116 1.020 30.922 -12.989 19.597 -99.200 -91.000 PHE 135 1.000 12.121 14.772 11.502 -99.200 -91.000 TYR 138 0.840 1.074 9.268 7.372 -99.200 -91.000 HIS 140 0.900 7.860 14.527 15.125 -99.200 -91.000 TYR 157 0.840 5.849 4.464 37.463 -99.200 -91.000 TRP 164 1.040 5.625 -3.775 10.701 -99.200 -91.000 TRP6 164 1.020 7.141 -1.968 10.889 -99.200 -91.000 PHE 201 1.000 13.590 -1.632 30.492 -99.200 -91.000 TYR 205 0.840 0.336 -7.137 31.644 -99.200 -91.000 PHE 224 1.000 9.374 -0.754 27.912 -99.200 -91.000 PHE 230 1.000 7.105 13.746 35.808 -99.200 -91.000 TRP 234 1.040 4.321 9.146 22.989 -99.200 -91.000 TRP6 234 1.020 3.546 7.150 23.980 -99.200 -91.000 TYR 235 0.840 11.398 11.844 27.311 -99.200 -91.000 TRP 242 1.040 18.503 -10.744 26.860 -99.200 -91.000 TRP6 242 1.020 17.911 -12.254 28.577 -99.200 -91.000 TYR 252 0.840 8.439 -11.787 34.076 -99.200 -91.000 PHE 254 1.000 15.471 -10.369 31.173 -99.200 -91.000 TYR 255 0.840 11.617 -4.939 26.409 -99.200 -91.000 HIS 257 0.900 18.470 1.772 32.087 -99.200 -91.000 PHE 259 1.000 20.427 8.021 32.328 -99.200 -91.000 TRP 264 1.040 28.664 3.785 22.111 -99.200 -91.000 TRP6 264 1.020 26.844 3.099 20.774 -99.200 -91.000 PHE 272 1.000 32.474 8.218 14.363 -99.200 -91.000