============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 8.590 6.446 18.255 -99.200 -91.000 TRP6 14 1.020 7.238 8.283 18.870 -99.200 -91.000 PHE 19 1.000 12.804 -5.517 3.027 -99.200 -91.000 TRP 37 1.040 22.822 10.202 13.796 -99.200 -91.000 TRP6 37 1.020 24.707 8.785 13.725 -99.200 -91.000 HIS 43 0.900 19.328 -8.503 19.052 -99.200 -91.000 TYR 47 0.840 23.680 -13.696 19.362 -99.200 -91.000 TRP 49 1.040 20.915 -16.772 17.188 -99.200 -91.000 TRP6 49 1.020 19.050 -15.385 17.607 -99.200 -91.000 PHE 53 1.000 22.386 -8.966 8.380 -99.200 -91.000 HIS 65 0.900 -0.946 0.487 10.074 -99.200 -91.000 TYR 70 0.840 7.242 1.457 -1.832 -99.200 -91.000 TYR 84 0.840 29.304 5.165 13.465 -99.200 -91.000 HIS 86 0.900 28.911 0.419 24.309 -99.200 -91.000 TYR 89 0.840 26.607 -6.915 21.029 -99.200 -91.000 TRP 91 1.040 30.005 -10.706 20.008 -99.200 -91.000 TRP6 91 1.020 30.897 -12.883 19.719 -99.200 -91.000 PHE 110 1.000 12.192 14.467 11.441 -99.200 -91.000 TYR 113 0.840 1.042 9.027 7.439 -99.200 -91.000 HIS 115 0.900 7.767 14.423 14.961 -99.200 -91.000 TYR 132 0.840 6.244 4.442 37.386 -99.200 -91.000 TRP 139 1.040 5.419 -3.756 10.845 -99.200 -91.000 TRP6 139 1.020 7.016 -2.011 10.892 -99.200 -91.000 PHE 177 1.000 14.010 -1.379 30.468 -99.200 -91.000 TYR 181 0.840 0.665 -6.951 31.734 -99.200 -91.000 PHE 200 1.000 9.592 -0.559 28.036 -99.200 -91.000 PHE 206 1.000 7.091 14.030 35.777 -99.200 -91.000 TRP 210 1.040 4.461 9.229 22.944 -99.200 -91.000 TRP6 210 1.020 3.588 7.326 24.026 -99.200 -91.000 TYR 211 0.840 11.523 11.985 27.212 -99.200 -91.000 TRP 218 1.040 18.684 -10.803 26.871 -99.200 -91.000 TRP6 218 1.020 17.980 -12.420 28.454 -99.200 -91.000 TYR 228 0.840 8.904 -11.615 34.280 -99.200 -91.000 PHE 230 1.000 15.930 -10.139 31.308 -99.200 -91.000 TYR 231 0.840 11.892 -4.716 26.695 -99.200 -91.000 HIS 233 0.900 18.829 2.034 32.165 -99.200 -91.000 PHE 235 1.000 20.702 8.359 31.928 -99.200 -91.000 TRP 240 1.040 28.793 3.932 21.968 -99.200 -91.000 TRP6 240 1.020 26.955 3.276 20.642 -99.200 -91.000 PHE 248 1.000 32.902 8.508 14.199 -99.200 -91.000