============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. HIS 1 0.900 20.990 3.442 0.271 -99.200 -91.000 PHE 4 1.000 13.356 -1.655 6.149 -99.200 -91.000 TYR 30 0.840 8.914 -3.061 -1.315 -99.200 -91.000 TRP 33 1.040 1.765 -4.030 -5.793 -99.200 -91.000 TRP6 33 1.020 0.633 -2.850 -4.107 -99.200 -91.000 PHE 40 1.000 8.155 6.777 2.958 -99.200 -91.000 TYR 43 0.840 12.911 11.125 -4.353 -99.200 -91.000 PHE 45 1.000 12.428 3.772 4.161 -99.200 -91.000 HIS 77 0.900 -3.461 -8.870 14.525 -99.200 -91.000 PHE 88 1.000 7.694 4.844 12.920 -99.200 -91.000 PHE 89 1.000 4.513 -2.450 16.238 -99.200 -91.000 HIS 96 0.900 2.538 4.620 21.800 -99.200 -91.000 PHE 104 1.000 8.459 11.010 -0.461 -99.200 -91.000 PHE 110 1.000 10.642 8.011 8.116 -99.200 -91.000 HIS 113 0.900 5.816 10.488 11.914 -99.200 -91.000