============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 19 1.000 28.944 75.745 8.718 -99.200 -91.000 TRP 32 1.040 32.248 73.692 6.385 -99.200 -91.000 TRP6 32 1.020 33.677 75.580 6.534 -99.200 -91.000 HIS 44 0.900 20.510 67.499 19.279 -99.200 -91.000 HIS 55 0.900 36.571 67.615 11.939 -99.200 -91.000 TYR 60 0.840 41.376 71.801 5.376 -99.200 -91.000 PHE 66 1.000 39.157 81.804 11.182 -99.200 -91.000 TYR 87 0.840 6.920 79.518 14.917 -99.200 -91.000 TRP 91 1.040 16.386 77.033 16.791 -99.200 -91.000 TRP6 91 1.020 17.948 78.475 15.745 -99.200 -91.000 PHE 109 1.000 26.706 84.801 15.612 -99.200 -91.000 TRP 124 1.040 31.470 93.411 -0.277 -99.200 -91.000 TRP6 124 1.020 32.217 91.760 1.247 -99.200 -91.000 PHE 136 1.000 18.443 88.720 -2.883 -99.200 -91.000 HIS 155 0.900 18.245 95.486 10.243 -99.200 -91.000 HIS 166 0.900 4.602 86.186 4.049 -99.200 -91.000 PHE 174 1.000 -4.010 80.876 -5.863 -99.200 -91.000 HIS 199 0.900 -5.678 76.813 -7.768 -99.200 -91.000 PHE 204 1.000 -3.558 75.472 -23.470 -99.200 -91.000 PHE 226 1.000 9.542 81.409 -15.443 -99.200 -91.000 PHE 228 1.000 7.588 71.396 -20.418 -99.200 -91.000 HIS 234 0.900 -1.859 79.706 -25.639 -99.200 -91.000 PHE 235 1.000 -1.290 75.542 -18.241 -99.200 -91.000 PHE 244 1.000 -1.136 91.544 -13.226 -99.200 -91.000 TYR 245 0.840 -0.823 87.571 -9.336 -99.200 -91.000 PHE 274 1.000 10.537 82.963 -21.598 -99.200 -91.000 TYR 282 0.840 2.874 91.797 -17.111 -99.200 -91.000 PHE 283 1.000 10.115 98.679 -12.066 -99.200 -91.000 PHE 286 1.000 1.002 96.589 -12.877 -99.200 -91.000 PHE 288 1.000 6.587 107.911 -9.594 -99.200 -91.000 PHE 318 1.000 31.813 91.827 15.218 -99.200 -91.000