============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. HIS 2 0.900 1.058 -2.546 45.457 -99.200 -91.000 TRP 15 1.040 -14.660 1.611 34.439 -99.200 -91.000 TRP6 15 1.020 -13.239 3.492 34.125 -99.200 -91.000 TYR 35 0.840 0.123 17.535 32.470 -99.200 -91.000 TRP 37 1.040 5.079 17.753 27.840 -99.200 -91.000 TRP6 37 1.020 4.476 19.351 29.488 -99.200 -91.000 PHE 41 1.000 4.266 11.007 22.342 -99.200 -91.000 PHE 42 1.000 -2.058 11.745 20.658 -99.200 -91.000 PHE 45 1.000 -5.151 11.551 16.819 -99.200 -91.000 HIS 63 0.900 -5.577 7.086 20.293 -99.200 -91.000 PHE 71 1.000 -7.953 2.988 33.451 -99.200 -91.000 HIS 77 0.900 -8.723 -9.331 32.571 -99.200 -91.000 PHE 85 1.000 -3.554 -2.486 30.494 -99.200 -91.000 HIS 92 0.900 0.799 2.305 23.709 -99.200 -91.000 HIS 97 0.900 9.497 4.443 17.948 -99.200 -91.000 PHE 103 1.000 2.173 4.552 28.496 -99.200 -91.000 HIS 116 0.900 -15.152 19.339 35.707 -99.200 -91.000 HIS 117 0.900 -19.366 12.990 34.808 -99.200 -91.000 PHE 118 1.000 -18.384 9.579 38.163 -99.200 -91.000 PHE 122 1.000 -11.957 10.507 42.212 -99.200 -91.000 TYR 130 0.840 -11.182 4.793 40.017 -99.200 -91.000 HIS 143 0.900 7.199 -5.864 33.162 -99.200 -91.000 TYR 145 0.840 7.775 1.863 26.709 -99.200 -91.000 HIS 146 0.900 13.234 -3.294 23.610 -99.200 -91.000