============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 11 1.000 -16.183 56.748 -22.822 -99.200 -91.000 TRP 22 1.040 -29.791 47.007 -37.341 -99.200 -91.000 TRP6 22 1.020 -32.123 47.362 -37.082 -99.200 -91.000 TRP 29 1.040 -36.581 41.663 -32.813 -99.200 -91.000 TRP6 29 1.020 -35.689 43.600 -33.833 -99.200 -91.000 PHE 36 1.000 -30.565 41.186 -21.204 -99.200 -91.000 HIS 37 0.900 -24.903 35.995 -17.577 -99.200 -91.000 PHE 51 1.000 -17.710 46.323 -5.384 -99.200 -91.000 HIS 55 0.900 -13.205 59.094 -10.253 -99.200 -91.000 TRP 58 1.040 -12.546 45.876 -4.978 -99.200 -91.000 TRP6 58 1.020 -13.011 46.014 -2.654 -99.200 -91.000 PHE 69 1.000 -21.880 53.874 -1.774 -99.200 -91.000 PHE 73 1.000 -25.970 50.167 -0.604 -99.200 -91.000 HIS 82 0.900 -31.059 48.644 -11.801 -99.200 -91.000 PHE 96 1.000 -32.376 32.794 -13.519 -99.200 -91.000 HIS 106 0.900 -31.189 43.679 -11.536 -99.200 -91.000 PHE 111 1.000 -36.049 40.229 -13.620 -99.200 -91.000 HIS 120 0.900 -20.982 38.295 -6.395 -99.200 -91.000 PHE 124 1.000 -32.679 47.539 0.342 -99.200 -91.000 TYR 135 0.840 -38.518 36.171 7.262 -99.200 -91.000 TRP 171 1.040 -13.004 40.020 0.642 -99.200 -91.000 TRP6 171 1.020 -11.901 40.375 -1.421 -99.200 -91.000 HIS 229 0.900 -14.284 35.332 -18.982 -99.200 -91.000 HIS 232 0.900 -12.980 33.346 -24.191 -99.200 -91.000 HIS 238 0.900 -15.682 48.136 -25.937 -99.200 -91.000 TYR 240 0.840 -21.365 56.840 -20.161 -99.200 -91.000 HIS 251 0.900 -32.300 49.917 -32.546 -99.200 -91.000 TRP 259 1.040 -39.039 51.414 -8.797 -99.200 -91.000 TRP6 259 1.020 -38.201 52.870 -7.123 -99.200 -91.000