============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TRP 4 1.040 -3.010 -15.202 11.751 -99.200 -91.000 TRP6 4 1.020 -1.399 -16.120 13.221 -99.200 -91.000 TYR 22 0.840 19.254 -10.617 8.796 -99.200 -91.000 PHE 34 1.000 14.456 -12.741 5.364 -99.200 -91.000 PHE 49 1.000 18.748 -0.470 9.920 -99.200 -91.000 HIS 54 0.900 17.726 -10.459 3.429 -99.200 -91.000 TYR 58 0.840 11.656 -13.189 0.898 -99.200 -91.000 TYR 69 0.840 2.680 -8.517 12.451 -99.200 -91.000 TRP 78 1.040 17.803 2.833 15.148 -99.200 -91.000 TRP6 78 1.020 19.456 1.248 15.741 -99.200 -91.000 TRP 98 1.040 29.487 0.118 13.186 -99.200 -91.000 TRP6 98 1.020 27.656 1.615 13.143 -99.200 -91.000 TRP 107 1.040 17.796 -1.738 -1.262 -99.200 -91.000 TRP6 107 1.020 15.575 -1.723 -0.452 -99.200 -91.000 HIS 111 0.900 17.051 0.567 -3.946 -99.200 -91.000 TYR 113 0.840 10.843 1.056 2.139 -99.200 -91.000 TRP 120 1.040 4.855 -10.891 17.650 -99.200 -91.000 TRP6 120 1.020 3.358 -11.968 16.171 -99.200 -91.000 TRP 125 1.040 -1.124 -10.577 19.099 -99.200 -91.000 TRP6 125 1.020 -0.370 -9.090 17.419 -99.200 -91.000 TYR 132 0.840 17.569 -16.635 15.171 -99.200 -91.000