============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TRP 11 1.040 30.765 19.745 64.334 -99.200 -91.000 TRP6 11 1.020 30.991 17.410 64.696 -99.200 -91.000 PHE 26 1.000 39.735 13.282 60.583 -99.200 -91.000 HIS 33 0.900 49.578 13.510 50.009 -99.200 -91.000 PHE 43 1.000 33.127 30.775 67.767 -99.200 -91.000 HIS 45 0.900 31.448 19.945 69.202 -99.200 -91.000 HIS 55 0.900 48.718 13.484 60.909 -99.200 -91.000 PHE 58 1.000 44.506 15.746 59.999 -99.200 -91.000 PHE 77 1.000 41.569 26.834 72.895 -99.200 -91.000 TRP 81 1.040 45.609 27.192 59.140 -99.200 -91.000 TRP6 81 1.020 45.535 26.903 56.790 -99.200 -91.000 HIS 86 0.900 29.861 27.271 53.464 -99.200 -91.000 TRP 91 1.040 23.517 31.485 49.322 -99.200 -91.000 TRP6 91 1.020 22.494 29.431 48.780 -99.200 -91.000 TYR 92 0.840 20.633 30.388 54.181 -99.200 -91.000 TYR 93 0.840 23.993 33.015 59.872 -99.200 -91.000 PHE 112 1.000 42.739 34.013 63.146 -99.200 -91.000 TRP 150 1.040 46.716 38.393 47.384 -99.200 -91.000 TRP6 150 1.020 44.787 37.289 46.562 -99.200 -91.000 TYR 157 0.840 33.798 27.577 41.686 -99.200 -91.000 TRP 161 1.040 27.779 26.116 40.025 -99.200 -91.000 TRP6 161 1.020 27.819 24.010 38.933 -99.200 -91.000 HIS 178 0.900 39.337 25.011 41.544 -99.200 -91.000 TRP 184 1.040 40.494 39.329 38.876 -99.200 -91.000 TRP6 184 1.020 41.437 39.781 41.001 -99.200 -91.000 TYR 201 0.840 34.582 20.907 43.361 -99.200 -91.000 TYR 214 0.840 45.743 17.386 43.946 -99.200 -91.000 PHE 222 1.000 39.594 17.636 46.258 -99.200 -91.000 PHE 230 1.000 39.481 16.024 55.776 -99.200 -91.000