============================================================================= 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 8.376 7.531 18.225 -99.200 -91.000 TRP6 14 1.020 7.075 9.315 19.052 -99.200 -91.000 PHE 19 1.000 12.603 -4.227 2.955 -99.200 -91.000 TRP 37 1.040 22.860 11.624 13.927 -99.200 -91.000 TRP6 37 1.020 24.683 10.126 13.835 -99.200 -91.000 HIS 43 0.900 19.180 -7.590 18.935 -99.200 -91.000 TYR 47 0.840 23.685 -13.073 18.665 -99.200 -91.000 TRP 49 1.040 21.921 -16.545 16.094 -99.200 -91.000 TRP6 49 1.020 19.993 -15.323 16.669 -99.200 -91.000 PHE 53 1.000 22.435 -7.601 7.901 -99.200 -91.000 HIS 65 0.900 -0.920 1.635 9.930 -99.200 -91.000 TYR 70 0.840 7.476 2.955 -2.135 -99.200 -91.000 TYR 84 0.840 29.262 6.465 13.518 -99.200 -91.000 HIS 86 0.900 28.125 1.620 24.360 -99.200 -91.000 TYR 89 0.840 26.315 -6.159 20.672 -99.200 -91.000 TRP 91 1.040 29.903 -9.829 19.956 -99.200 -91.000 TRP6 91 1.020 30.830 -11.983 19.671 -99.200 -91.000 PHE 110 1.000 11.908 15.868 11.517 -99.200 -91.000 TYR 113 0.840 1.009 10.401 7.444 -99.200 -91.000 HIS 115 0.900 7.853 15.531 15.445 -99.200 -91.000 TYR 132 0.840 5.805 5.754 37.682 -99.200 -91.000 TRP 139 1.040 5.515 -2.692 10.810 -99.200 -91.000 TRP6 139 1.020 7.043 -0.895 10.901 -99.200 -91.000 PHE 176 1.000 13.392 -0.518 30.402 -99.200 -91.000 TYR 180 0.840 0.385 -5.865 31.930 -99.200 -91.000 PHE 199 1.000 9.168 0.404 28.011 -99.200 -91.000 PHE 205 1.000 7.061 14.872 35.837 -99.200 -91.000 TRP 209 1.040 4.195 10.400 23.027 -99.200 -91.000 TRP6 209 1.020 3.413 8.383 23.960 -99.200 -91.000 TYR 210 0.840 11.383 12.959 27.249 -99.200 -91.000 TRP 217 1.040 18.263 -9.829 26.812 -99.200 -91.000 TRP6 217 1.020 17.775 -11.457 28.442 -99.200 -91.000 TYR 227 0.840 8.421 -10.473 34.217 -99.200 -91.000 PHE 229 1.000 15.420 -9.194 31.147 -99.200 -91.000 TYR 230 0.840 11.593 -3.794 26.459 -99.200 -91.000 HIS 232 0.900 18.441 2.964 32.198 -99.200 -91.000 PHE 234 1.000 20.598 9.203 32.173 -99.200 -91.000 TRP 239 1.040 28.838 5.102 22.166 -99.200 -91.000 TRP6 239 1.020 27.097 4.385 20.753 -99.200 -91.000 PHE 247 1.000 32.468 9.744 14.429 -99.200 -91.000