============================================================================= 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. TYR 2 0.840 -5.928 -15.206 57.111 -99.200 -91.000 HIS 3 0.900 -5.436 -17.959 49.401 -99.200 -91.000 HIS 16 0.900 -3.736 3.591 51.067 -99.200 -91.000 TYR 31 0.840 2.587 5.834 41.737 -99.200 -91.000 TYR 33 0.840 1.265 0.770 51.117 -99.200 -91.000 HIS 39 0.900 7.699 -0.546 39.330 -99.200 -91.000 HIS 40 0.900 10.497 -3.340 44.573 -99.200 -91.000 HIS 42 0.900 8.843 -12.101 40.488 -99.200 -91.000 PHE 57 1.000 2.297 -5.435 51.466 -99.200 -91.000 TYR 61 0.840 13.474 -2.339 49.466 -99.200 -91.000 PHE 71 1.000 14.812 -2.304 55.020 -99.200 -91.000 TRP 73 1.040 8.661 0.347 53.943 -99.200 -91.000 TRP6 73 1.020 8.196 1.113 51.763 -99.200 -91.000 HIS 78 0.900 -7.944 -6.092 60.215 -99.200 -91.000 HIS 84 0.900 -5.531 -17.425 61.944 -99.200 -91.000 HIS 92 0.900 4.871 -17.581 50.060 -99.200 -91.000 HIS 101 0.900 22.321 -17.002 44.248 -99.200 -91.000 HIS 104 0.900 24.312 -10.979 56.266 -99.200 -91.000 PHE 120 1.000 11.588 -9.174 61.292 -99.200 -91.000 HIS 130 0.900 24.990 -12.308 65.842 -99.200 -91.000 PHE 136 1.000 19.138 2.067 59.645 -99.200 -91.000 PHE 137 1.000 16.225 5.137 59.070 -99.200 -91.000 PHE 142 1.000 12.212 8.593 62.110 -99.200 -91.000 HIS 147 0.900 8.596 6.952 63.022 -99.200 -91.000 PHE 157 1.000 18.872 -15.708 56.617 -99.200 -91.000