============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 7 0.840 27.633 63.784 -29.194 -99.200 -91.000 HIS 14 0.900 40.947 72.610 -19.282 -99.200 -91.000 TRP 16 1.040 35.368 76.709 -26.580 -99.200 -91.000 TRP6 16 1.020 33.158 76.118 -27.190 -99.200 -91.000 HIS 20 0.900 37.803 84.233 -25.736 -99.200 -91.000 PHE 28 1.000 32.274 78.924 -21.988 -99.200 -91.000 TYR 38 0.840 24.202 68.501 -10.192 -99.200 -91.000 HIS 41 0.900 28.302 71.277 -9.598 -99.200 -91.000 TRP 46 1.040 23.280 78.685 -15.906 -99.200 -91.000 TRP6 46 1.020 22.112 79.767 -17.683 -99.200 -91.000 HIS 47 0.900 21.062 69.845 -11.414 -99.200 -91.000 TYR 48 0.840 17.481 75.286 -15.784 -99.200 -91.000 TYR 50 0.840 15.197 64.398 -21.169 -99.200 -91.000 TYR 59 0.840 13.603 73.177 -14.174 -99.200 -91.000 HIS 65 0.900 11.125 82.581 -21.781 -99.200 -91.000 PHE 82 1.000 21.026 71.786 -23.842 -99.200 -91.000 HIS 83 0.900 27.416 67.737 -18.362 -99.200 -91.000 TRP 111 1.040 28.565 73.853 -29.390 -99.200 -91.000 TRP6 111 1.020 29.955 73.005 -31.115 -99.200 -91.000 PHE 117 1.000 31.209 65.862 -13.725 -99.200 -91.000 TRP 120 1.040 34.674 68.228 -16.488 -99.200 -91.000 TRP6 120 1.020 35.264 69.845 -18.090 -99.200 -91.000 TYR 124 0.840 39.798 68.759 -18.548 -99.200 -91.000 TYR 134 0.840 36.172 64.268 -8.672 -99.200 -91.000 TRP 139 1.040 33.060 60.657 -9.581 -99.200 -91.000 TRP6 139 1.020 31.952 60.523 -11.679 -99.200 -91.000