============================================================================= 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. TYR 36 0.840 -12.511 39.570 14.092 -99.200 -91.000 PHE 41 1.000 -6.995 41.812 11.270 -99.200 -91.000 TRP 46 1.040 -11.014 29.656 12.467 -99.200 -91.000 TRP6 46 1.020 -11.063 27.827 10.982 -99.200 -91.000 HIS 50 0.900 -13.410 30.240 21.087 -99.200 -91.000 PHE 51 1.000 -15.916 25.121 12.165 -99.200 -91.000 PHE 78 1.000 -6.182 25.063 11.473 -99.200 -91.000 PHE 80 1.000 -8.345 21.980 18.911 -99.200 -91.000 TYR 96 0.840 -2.628 19.927 18.429 -99.200 -91.000 PHE 117 1.000 5.543 21.484 28.019 -99.200 -91.000 TYR 129 0.840 2.337 17.453 5.923 -99.200 -91.000 HIS 131 0.900 9.593 24.677 9.346 -99.200 -91.000 HIS 133 0.900 3.030 20.096 2.398 -99.200 -91.000 HIS 142 0.900 -1.736 30.180 25.646 -99.200 -91.000 PHE 144 1.000 -5.401 30.681 29.734 -99.200 -91.000 HIS 145 0.900 -5.705 28.250 37.175 -99.200 -91.000 TYR 194 0.840 20.056 31.202 26.719 -99.200 -91.000 PHE 218 1.000 10.738 45.680 29.103 -99.200 -91.000 PHE 224 1.000 -2.404 36.513 19.742 -99.200 -91.000 HIS 249 0.900 7.950 51.893 15.138 -99.200 -91.000