============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. PHE 20 1.000 17.636 4.810 14.651 -99.200 -91.000 HIS 42 0.900 19.346 -9.961 4.957 -99.200 -91.000 PHE 44 1.000 17.776 -1.010 9.156 -99.200 -91.000 HIS 45 0.900 11.573 -2.271 5.266 -99.200 -91.000 HIS 47 0.900 8.226 -2.960 10.385 -99.200 -91.000 HIS 62 0.900 7.721 -1.473 5.459 -99.200 -91.000 PHE 63 1.000 6.789 7.040 11.465 -99.200 -91.000 HIS 70 0.900 8.201 -0.683 0.592 -99.200 -91.000 HIS 79 0.900 4.637 2.366 3.349 -99.200 -91.000 PHE 96 1.000 22.824 -0.579 8.572 -99.200 -91.000 HIS 109 0.900 4.677 13.340 11.390 -99.200 -91.000 HIS 119 0.900 10.966 -6.758 7.105 -99.200 -91.000 HIS 130 0.900 4.725 -11.112 -3.800 -99.200 -91.000