============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 6 1.000 -11.848 1.078 -21.853 -99.200 -91.000 PHE 9 1.000 -11.811 -3.080 -11.226 -99.200 -91.000 HIS 21 0.900 -15.239 -1.596 -25.432 -99.200 -91.000 HIS 33 0.900 -6.044 -5.474 -26.685 -99.200 -91.000 TRP 36 1.040 -9.208 -10.379 -13.786 -99.200 -91.000 TRP6 36 1.020 -8.346 -8.719 -12.347 -99.200 -91.000 PHE 56 1.000 -3.227 -8.347 -15.032 -99.200 -91.000 PHE 85 1.000 -1.599 -5.198 -17.452 -99.200 -91.000 TYR 95 0.840 -3.498 10.598 -24.742 -99.200 -91.000 HIS 120 0.900 -18.266 8.644 -5.811 -99.200 -91.000 TRP 121 1.040 -19.906 12.470 -4.438 -99.200 -91.000 TRP6 121 1.020 -20.539 12.716 -2.185 -99.200 -91.000 TYR 123 0.840 -15.405 5.912 -2.176 -99.200 -91.000 HIS 124 0.900 -11.437 15.130 -4.732 -99.200 -91.000 HIS 136 0.900 -12.609 18.806 -4.089 -99.200 -91.000 PHE 157 1.000 -11.368 9.668 -19.139 -99.200 -91.000 PHE 166 1.000 -7.822 7.803 -34.626 -99.200 -91.000 TYR 180 0.840 -21.979 11.964 -24.498 -99.200 -91.000 PHE 186 1.000 -34.772 14.251 -10.785 -99.200 -91.000 HIS 211 0.900 -13.814 2.628 9.325 -99.200 -91.000