============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. HIS 5 0.900 13.738 21.891 36.705 -99.200 -91.000 TYR 10 0.840 9.330 13.581 42.520 -99.200 -91.000 TRP 12 1.040 5.363 8.212 34.972 -99.200 -91.000 TRP6 12 1.020 4.345 10.298 35.525 -99.200 -91.000 PHE 15 1.000 13.209 2.678 23.826 -99.200 -91.000 PHE 23 1.000 5.747 8.140 23.042 -99.200 -91.000 PHE 26 1.000 7.793 16.145 31.902 -99.200 -91.000 TRP 28 1.040 4.446 21.909 41.115 -99.200 -91.000 TRP6 28 1.020 2.991 23.703 40.686 -99.200 -91.000 HIS 45 0.900 9.125 3.531 42.724 -99.200 -91.000 TRP 47 1.040 -0.549 3.705 39.956 -99.200 -91.000 TRP6 47 1.020 -2.201 5.365 40.218 -99.200 -91.000 HIS 49 0.900 8.112 8.798 45.079 -99.200 -91.000 TRP 58 1.040 -6.758 20.513 38.889 -99.200 -91.000 TRP6 58 1.020 -8.555 20.616 37.367 -99.200 -91.000 HIS 66 0.900 2.260 14.127 24.307 -99.200 -91.000 TYR 78 0.840 -12.114 9.697 45.281 -99.200 -91.000 PHE 91 1.000 -8.517 15.867 24.787 -99.200 -91.000 TYR 94 0.840 -16.263 14.738 31.764 -99.200 -91.000 TRP 98 1.040 -13.441 21.363 27.707 -99.200 -91.000 TRP6 98 1.020 -12.207 19.597 26.725 -99.200 -91.000 TYR 140 0.840 16.315 10.509 17.717 -99.200 -91.000 TRP 180 1.040 17.624 12.471 24.903 -99.200 -91.000 TRP6 180 1.020 18.396 11.144 26.703 -99.200 -91.000 PHE 183 1.000 16.419 17.953 33.350 -99.200 -91.000