============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. PHE 26 1.000 32.698 -9.335 80.178 -99.200 -91.000 PHE 39 1.000 24.325 -12.476 81.747 -99.200 -91.000 HIS 40 0.900 20.847 -15.082 77.918 -99.200 -91.000 PHE 48 1.000 23.717 -14.641 87.059 -99.200 -91.000 PHE 53 1.000 36.296 -11.795 85.606 -99.200 -91.000 PHE 73 1.000 37.029 -16.420 83.044 -99.200 -91.000 HIS 74 0.900 32.892 -21.174 77.817 -99.200 -91.000 PHE 76 1.000 37.171 -22.977 86.858 -99.200 -91.000 HIS 80 0.900 23.537 -20.094 93.449 -99.200 -91.000 HIS 107 0.900 34.301 -27.331 101.330 -99.200 -91.000 HIS 115 0.900 30.227 1.520 94.465 -99.200 -91.000 TYR 116 0.840 35.183 -2.499 95.066 -99.200 -91.000