============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 4 1.000 12.473 21.160 54.587 -99.200 -91.000 PHE 24 1.000 10.426 10.087 52.776 -99.200 -91.000 PHE 29 1.000 12.356 6.640 57.841 -99.200 -91.000 PHE 36 1.000 0.431 23.010 47.891 -99.200 -91.000 HIS 43 0.900 11.072 30.172 54.004 -99.200 -91.000 HIS 47 0.900 16.282 25.163 51.502 -99.200 -91.000 TYR 48 0.840 18.006 26.315 47.302 -99.200 -91.000 PHE 56 1.000 24.507 27.260 41.356 -99.200 -91.000 PHE 57 1.000 20.880 32.856 45.651 -99.200 -91.000 TYR 63 0.840 13.337 23.715 40.171 -99.200 -91.000 TRP 74 1.040 8.504 12.595 56.017 -99.200 -91.000 TRP6 74 1.020 6.683 11.087 56.209 -99.200 -91.000 PHE 104 1.000 7.545 8.099 40.897 -99.200 -91.000 HIS 114 0.900 16.805 19.520 50.545 -99.200 -91.000 TRP 129 1.040 12.297 25.297 54.463 -99.200 -91.000 TRP6 129 1.020 11.093 25.672 52.457 -99.200 -91.000 PHE 130 1.000 7.530 22.350 58.488 -99.200 -91.000 TYR 138 0.840 1.864 11.462 64.891 -99.200 -91.000 HIS 143 0.900 8.190 3.682 68.385 -99.200 -91.000 TRP 145 1.040 3.599 -4.514 66.392 -99.200 -91.000 TRP6 145 1.020 4.207 -6.694 67.026 -99.200 -91.000 TYR 147 0.840 12.025 2.746 65.105 -99.200 -91.000