============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 9 1.000 2.785 27.129 3.936 -99.200 -91.000 HIS 15 0.900 -0.497 27.452 12.839 -99.200 -91.000 HIS 16 0.900 3.643 22.671 10.615 -99.200 -91.000 TYR 23 0.840 8.134 17.164 23.071 -99.200 -91.000 TYR 39 0.840 5.282 9.133 18.518 -99.200 -91.000 TRP 53 1.040 12.309 22.635 1.212 -99.200 -91.000 TRP6 53 1.020 9.959 22.354 1.336 -99.200 -91.000 TRP 57 1.040 14.957 27.695 -1.666 -99.200 -91.000 TRP6 57 1.020 12.712 27.592 -0.910 -99.200 -91.000 TRP 69 1.040 2.824 34.302 3.739 -99.200 -91.000 TRP6 69 1.020 1.450 32.624 2.752 -99.200 -91.000 TYR 92 0.840 -7.618 24.977 27.360 -99.200 -91.000 TYR 93 0.840 -3.254 17.959 22.153 -99.200 -91.000 HIS 99 0.900 -1.545 25.551 16.273 -99.200 -91.000 HIS 100 0.900 -4.521 20.016 13.368 -99.200 -91.000 HIS 105 0.900 -7.213 31.783 6.053 -99.200 -91.000 HIS 147 0.900 -19.675 29.682 22.615 -99.200 -91.000 HIS 148 0.900 -12.449 30.309 19.883 -99.200 -91.000