============================================================================= 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. PHE 5 1.000 83.768 -2.568 9.774 -99.200 -91.000 PHE 10 1.000 79.175 3.624 21.125 -99.200 -91.000 TRP 33 1.040 77.827 7.817 43.213 -99.200 -91.000 TRP6 33 1.020 79.852 8.906 43.790 -99.200 -91.000 TYR 39 0.840 70.710 2.726 39.529 -99.200 -91.000 HIS 43 0.900 75.312 -11.573 42.073 -99.200 -91.000 TYR 56 0.840 68.506 -12.761 45.291 -99.200 -91.000 HIS 66 0.900 73.241 0.066 60.128 -99.200 -91.000 PHE 68 1.000 72.993 -3.281 51.289 -99.200 -91.000 HIS 82 0.900 67.958 -0.964 52.665 -99.200 -91.000 TYR 103 0.840 71.523 8.607 34.309 -99.200 -91.000 PHE 105 1.000 69.311 3.502 34.515 -99.200 -91.000 PHE 114 1.000 76.044 -5.002 25.420 -99.200 -91.000 TYR 120 0.840 87.577 -8.110 36.720 -99.200 -91.000 TYR 128 0.840 84.308 -7.126 26.405 -99.200 -91.000 HIS 136 0.900 66.724 -12.152 24.971 -99.200 -91.000 PHE 142 1.000 81.624 -9.558 31.598 -99.200 -91.000 PHE 152 1.000 79.825 2.230 27.718 -99.200 -91.000 TYR 156 0.840 74.999 13.498 18.350 -99.200 -91.000 PHE 161 1.000 75.203 4.049 32.311 -99.200 -91.000 TYR 163 0.840 75.083 -7.489 30.386 -99.200 -91.000 HIS 165 0.900 78.655 -10.817 33.775 -99.200 -91.000 HIS 166 0.900 72.449 -9.078 37.566 -99.200 -91.000 HIS 174 0.900 80.611 -14.296 30.322 -99.200 -91.000 PHE 183 1.000 69.273 -12.341 35.264 -99.200 -91.000 TYR 184 0.840 69.024 -7.001 28.220 -99.200 -91.000 PHE 187 1.000 69.725 -17.063 30.309 -99.200 -91.000 TRP 209 1.040 82.003 -7.910 8.379 -99.200 -91.000 TRP6 209 1.020 82.535 -9.914 7.241 -99.200 -91.000 TYR 211 0.840 74.611 -3.573 1.528 -99.200 -91.000 TRP 220 1.040 86.378 -11.560 -1.773 -99.200 -91.000 TRP6 220 1.020 85.392 -13.704 -1.579 -99.200 -91.000 PHE 221 1.000 81.681 -9.463 -0.417 -99.200 -91.000 PHE 225 1.000 73.878 -16.800 -10.033 -99.200 -91.000 PHE 232 1.000 69.345 -14.599 3.097 -99.200 -91.000 TYR 239 0.840 74.474 -23.144 4.861 -99.200 -91.000 TYR 241 0.840 74.103 -16.758 8.510 -99.200 -91.000 HIS 248 0.900 65.563 -8.480 10.341 -99.200 -91.000 PHE 293 1.000 82.086 -4.871 13.255 -99.200 -91.000 PHE 296 1.000 73.990 4.482 14.675 -99.200 -91.000