Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.T1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 V 0.02 C Shift Assignments>> C :: 173.159 CB :: 69.445 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.941 HA :: 4.896 HB :: 4.396 HG21 :: 1.152 HG22 :: 1.152 HG23 :: 1.152 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 123.473 Ave N Shift Values>> N :: 115.7(5.05) 1.A2 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.49 A 0.3 M 0.11 K 0.06 P 0.01 C Shift Assignments>> C :: 177.291 CA :: 50.825 CB :: 22.979 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.623 HA :: 5.961(S) HB1 :: 1.454 HB2 :: 1.454 HB3 :: 1.454 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.148 Ave N Shift Values>> N :: 123.23(3.7) 1.F3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.25 K 0.17 F 0.08 R 0.08 N 0.06 Y 0.06 C Shift Assignments>> C :: 174.250 CA :: 54.374 CB :: 41.692 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.768 HA :: 5.865 HB2 :: 3.158 HB3 :: 3.417 HD1 :: 6.657 HD2 :: 6.657 HE1 :: 6.958 HE2 :: 6.958 HZ :: 7.467 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.147 Ave N Shift Values>> N :: 120.69(4.18) 1.L4 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.98 R 0.01 C Shift Assignments>> C :: 175.013 CA :: 54.382 CB :: 47.493 CD1 :: 26.684 CD2 :: 30.199(A) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.446 HA :: 5.879(S) HB2 :: 1.895 HB3 :: 1.639 HG :: 2.490 HD11 :: 0.949 HD12 :: 0.949 HD13 :: 0.949 HD21 :: 0.506 HD22 :: 0.506 HD23 :: 0.506 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.590 Ave N Shift Values>> N :: 121.98(4.07) 1.W5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.21 K 0.2 M 0.17 V 0.11 E 0.09 W 0.07 R 0.05 H 0.04 Y 0.01 I 0.01 C Shift Assignments>> C :: 171.708 CA :: 58.563 CB :: 33.831 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.883 HA :: 5.525 HB2 :: 3.216 HB3 :: 3.490 HD1 :: 6.916 HE1 :: 11.077 HE3 :: 7.032 HZ2 :: 7.284 HZ3 :: 7.135 HH2 :: 7.528 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 126.313 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.A6 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.41 P 0.34 K 0.09 A 0.05 M 0.04 R 0.02 C Shift Assignments>> C :: 176.521 CA :: 50.255 CB :: 24.165 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 10.551(S) HA :: 5.538 HB1 :: 1.648 HB2 :: 1.648 HB3 :: 1.648 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.911 Ave N Shift Values>> N :: 123.23(3.7) 1.Q7 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Anomalous N Shifts: Consistent PRTL>> M 0.64 E 0.34 C Shift Assignments>> C :: 173.922 CA :: 53.337 CB :: 36.455(S) CG :: 32.745 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.149 HA :: 6.302(A) HB2 :: 2.134 HB3 :: 1.969 HG2 :: 2.431 HG3 :: 2.143 HE21 :: 6.826 HE22 :: 7.519 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 114.615 NE2 :: 111.537 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.24 K 0.12 N 0.11 R 0.06 F 0.05 Y 0.04 C Shift Assignments>> C :: 178.286 CA :: 53.124 CB :: 41.707 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.262 HA :: 4.724 HB2 :: 2.729 HB3 :: 2.857 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.398 Ave N Shift Values>> N :: 120.73(4.2) 1.R9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.99 C Shift Assignments>> C :: 176.676 CA :: 59.498 CB :: 30.699 CZ :: 159.500 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.698 HA :: 4.199 HB2 :: 1.819 HB3 :: 1.594 HG2 :: 1.454 HD2 :: 3.510 HD3 :: 3.101 HE :: 7.248 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 114.785 NE :: 85.127 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 R 0.28 D 0.11 G 0.08 K 0.06 F 0.04 Y 0.03 N 0.01 C Shift Assignments>> C :: 176.248 CA :: 54.665 CB :: 43.452 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.472 HA :: 5.036 HB2 :: 2.655 HB3 :: 2.984 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.031 Ave N Shift Values>> N :: 120.73(4.2) 1.G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 172.983 CA :: 46.381 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.006 HA2 :: 4.554 HA3 :: 3.477 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.628 Ave N Shift Values>> N :: 109.91(4.29) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 R 0.19 L 0.16 C Shift Assignments>> C :: 177.977 CA :: 57.771 CB :: 44.914 CG :: 27.754 CD1 :: 24.050 CD2 :: 27.507 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.147 HA :: 4.252 HB2 :: 1.926 HB3 :: 1.792 HG :: 1.766 HD11 :: 0.910 HD12 :: 0.910 HD13 :: 0.910 HD21 :: 0.802 HD22 :: 0.802 HD23 :: 0.802 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.690 Ave N Shift Values>> N :: 121.98(4.07) 1.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 G 0.13 C Shift Assignments>> C :: 176.406 CA :: 62.052 CB :: 42.593 CG2 :: 18.630 CD1 :: 14.147 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.097 HA :: 5.317 HB :: 2.519 HG12 :: 0.949 HG13 :: 0.647 HG21 :: 1.322 HG22 :: 1.322 HG23 :: 1.322 HD11 :: 0.823 HD12 :: 0.823 HD13 :: 0.823 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 111.186 Ave N Shift Values>> N :: 121.6(4.72) 1.G14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 R 0.01 C Shift Assignments>> C :: 170.935 CA :: 46.007 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.811 HA2 :: 4.837 HA3 :: 3.752 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.438 Ave N Shift Values>> N :: 109.91(4.29) 1.K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 Y 0.24 F 0.13 I 0.08 M 0.07 N 0.04 K 0.03 D 0.01 C Shift Assignments>> C :: 173.951 CA :: 57.142 CB :: 36.956 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.698 HA :: 4.141 HB2 :: 1.809 HB3 :: 2.039 HG2 :: 0.913 HG3 :: 1.104 HD2 :: 1.229 HD3 :: 1.229 HE2 :: 2.588 HE3 :: 2.588 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.508 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 F 0.19 Y 0.18 L 0.16 K 0.11 N 0.07 I 0.02 R 0.01 C Shift Assignments>> C :: 175.220 CA :: 55.998 CB :: 40.471 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 10.075 HA :: 4.184 HB2 :: 2.436 HB3 :: 2.886 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 129.290 Ave N Shift Values>> N :: 120.73(4.2) 1.G17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 172.983 CA :: 46.370 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.376 HA2 :: 3.995 HA3 :: 3.174 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.504 Ave N Shift Values>> N :: 109.91(4.29) 1.H18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 H 0.17 R 0.16 K 0.12 W 0.12 E 0.09 Q 0.09 C Shift Assignments>> C :: 174.302 CA :: 54.715 CB :: 31.350 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.812 HA :: 5.017 HB2 :: 3.185 HB3 :: 3.314 HD1 :: 8.268 HD2 :: 7.192 HE1 :: 6.902 HE2 :: 7.418 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 116.504 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 K 0.3 R 0.17 G 0.03 C Shift Assignments>> CA :: 54.808 CB :: 42.732 CD2 :: 24.773 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.759 HA :: 4.518 HB2 :: 1.546 HB3 :: 1.643 HD11 :: 0.442 HD12 :: 0.442 HD13 :: 0.442 HD21 :: 0.860 HD22 :: 0.860 HD23 :: 0.860 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.355 Ave N Shift Values>> N :: 121.98(4.07) 1.P20 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Indeterminable PRTL>> P 0.73 A 0.12 N 0.06 D 0.02 C Shift Assignments>> C :: 173.133 CD :: 49.593 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.324 HD2 :: 3.174 HD3 :: 0.217(A) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.W21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 R 0.17 W 0.14 E 0.14 Q 0.13 M 0.11 K 0.08 V 0.01 I 0.01 C Shift Assignments>> C :: 173.479 CA :: 56.028 CB :: 30.644 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 5.781 HA :: 4.612 HB2 :: 2.450 HB3 :: 2.297 HD1 :: 6.529 HE1 :: 10.388 HE3 :: 6.033 HZ2 :: 7.168 HZ3 :: 6.555 HH2 :: 7.625 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 110.725 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.H22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 K 0.18 R 0.14 H 0.13 W 0.12 E 0.1 Q 0.07 V 0.02 C Shift Assignments>> C :: 173.282 CA :: 56.191 CB :: 31.983 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.531 HA :: 4.817 HB2 :: 3.069 HB3 :: 2.940 HD2 :: 7.083 HE2 :: 7.301 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 116.923 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 G 0.21 K 0.02 HN Overlap>> 1.E66 1.E66 C Shift Assignments>> CA :: 51.824 CB :: 43.137 CD1 :: 25.461 CD2 :: 25.256 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.035 HA :: 4.781 HB2 :: 1.412 HB3 :: 1.294 HG :: 1.474 HD11 :: 0.430 HD12 :: 0.430 HD13 :: 0.430 HD21 :: 0.173 HD22 :: 0.173 HD23 :: 0.173 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.341 Ave N Shift Values>> N :: 121.98(4.07) 1.P24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.31 N 0.23 P 0.12 D 0.11 L 0.04 M 0.03 H 0.03 R 0.01 Q 0.01 W 0.01 K 0.01 Y 0.01 F 0.01 C Shift Assignments>> CD :: 51.640 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.222 HB2 :: 2.166 HB3 :: 2.166 HG2 :: 2.157 HG3 :: 2.072 HD2 :: 3.732 HD3 :: 3.732 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.19 N 0.13 K 0.11 F 0.11 Y 0.09 R 0.02 C Shift Assignments>> C :: 177.015 CA :: 54.485 CB :: 40.821 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.608 HA :: 4.719 HB2 :: 3.055 HB3 :: 2.728 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.911 Ave N Shift Values>> N :: 120.73(4.2) 1.D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.3 L 0.2 K 0.18 F 0.12 Y 0.09 D 0.04 G 0.02 I 0.01 C Shift Assignments>> C :: 178.002 CA :: 57.830 CB :: 42.754 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.597 HA :: 4.844 HB3 :: 2.676 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.818 Ave N Shift Values>> N :: 120.73(4.2) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.78 K 0.16 G 0.03 R 0.02 C Shift Assignments>> C :: 179.368 CA :: 59.008 CB :: 42.169 CD1 :: 25.141 CD2 :: 25.314 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.060 HA :: 4.201 HB2 :: 1.686 HB3 :: 1.609 HG :: 1.927 HD11 :: 0.857 HD12 :: 0.857 HD13 :: 0.857 HD21 :: 0.924 HD22 :: 0.924 HD23 :: 0.924 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.941 Ave N Shift Values>> N :: 121.98(4.07) 1.H28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.12 S 0.12 Y 0.11 I 0.1 W 0.09 T 0.07 V 0.07 E 0.06 R 0.05 K 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> CA :: 59.706 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.997 HA :: 4.296 HB2 :: 3.222 HB3 :: 3.200 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 116.769 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.Y29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.99 C Shift Assignments>> C :: 176.123 CA :: 62.281 CB :: 39.473 CD1 :: 133.672 CD2 :: 133.672 CE1 :: 118.623 CE2 :: 118.623 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.183 HA :: 4.139 HB2 :: 3.128 HB3 :: 3.060 HD1 :: 6.816 HD2 :: 6.816 HE1 :: 6.472 HE2 :: 6.472 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) 1.F30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 F 0.18 Y 0.13 C Shift Assignments>> C :: 180.172 CA :: 63.188 CB :: 39.908 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.291 HA :: 3.558 HB2 :: 3.062 HB3 :: 3.386 HD1 :: 6.797 HD2 :: 6.797 HE1 :: 7.114 HE2 :: 7.114 HZ :: 7.200 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.173 Ave N Shift Values>> N :: 120.69(4.18) 1.R31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.99 C Shift Assignments>> C :: 177.636 CA :: 60.942 CB :: 30.783 CZ :: 159.500 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.102 HA :: 3.814 HB2 :: 1.832 HB3 :: 1.956 HG2 :: 1.553 HG3 :: 1.553 HD2 :: 3.304 HE :: 7.123 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.968 NE :: 84.340 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.25 I 0.07 V 0.01 C Shift Assignments>> C :: 180.492 CA :: 55.940 CB :: 18.270 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.937 HA :: 3.872 HB1 :: 1.296 HB2 :: 1.296 HB3 :: 1.296 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.618 Ave N Shift Values>> N :: 123.23(3.7) 1.Q33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 R 0.17 W 0.14 E 0.13 Q 0.13 M 0.11 K 0.08 C Shift Assignments>> C :: 176.365 CA :: 55.669 CB :: 30.589 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.511 HA :: 4.217 HB2 :: 1.867 HB3 :: 1.607 HG2 :: 1.608 HG3 :: 1.402 HE21 :: 6.538 HE22 :: 6.047 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 111.284 NE2 :: 111.681 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.469 CA :: 63.234 CB :: 72.475 CG2 :: 22.122 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.200 HA :: 4.190 HB :: 3.693 HG1 :: 3.577 HG21 :: 0.315 HG22 :: 0.315 HG23 :: 0.315 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 104.547 Ave N Shift Values>> N :: 115.7(5.05) 1.V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.313 CA :: 66.064 CB :: 31.852 CG1 :: 23.280 CG2 :: 23.361 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.582 HA :: 3.670 HB :: 2.027 HG11 :: 0.923 HG12 :: 0.923 HG13 :: 0.923 HG21 :: 0.923 HG22 :: 0.923 HG23 :: 0.923 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.779 Ave N Shift Values>> N :: 121.02(4.96) 1.G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 174.430 CA :: 46.225 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.175 HA2 :: 4.184 HA3 :: 3.870 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.654 Ave N Shift Values>> N :: 109.91(4.29) 1.K37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.24 Q 0.22 K 0.19 E 0.16 W 0.03 H 0.03 Y 0.02 R 0.02 V 0.01 N 0.01 C Shift Assignments>> C :: 174.663 CA :: 55.788 CB :: 34.607 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.820 HA :: 4.691 HG2 :: 1.207 HG3 :: 1.696 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.662 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 V 0.05 HN Overlap>> 1.T58 1.T58 C Shift Assignments>> C :: 172.654 CA :: 62.742 CG2 :: 20.332 CD1 :: 15.552 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.459 HA :: 4.070 HB :: 1.812 HG12 :: 1.676 HG13 :: 0.655 HG21 :: 0.624 HG22 :: 0.624 HG23 :: 0.624 HD11 :: 0.967 HD12 :: 0.967 HD13 :: 0.967 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.218 Ave N Shift Values>> N :: 121.6(4.72) 1.M39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.44 I 0.03 C Shift Assignments>> C :: 173.103 CA :: 54.627 CB :: 35.807 CE :: 17.716 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.946 HA :: 5.089 HB2 :: 2.123 HB3 :: 2.359 HE1 :: 2.060 HE2 :: 2.060 HE3 :: 2.060 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 129.555 Ave N Shift Values>> N :: 120.1(3.88) 1.V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.213 CA :: 61.375 CB :: 33.422 CG1 :: 21.692 CG2 :: 21.692 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.023 HA :: 4.759 HB :: 1.656 HG11 :: 0.439 HG12 :: 0.439 HG13 :: 0.439 HG21 :: 0.439 HG22 :: 0.439 HG23 :: 0.439 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 129.271 Ave N Shift Values>> N :: 121.02(4.96) 1.V41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 A 0.19 L 0.08 V 0.04 C Shift Assignments>> C :: 175.506 CA :: 58.065 CB :: 37.607 CG1 :: 20.501 CG2 :: 25.038 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.018 HA :: 5.490 HB :: 2.059 HG11 :: 0.865 HG12 :: 0.865 HG13 :: 0.865 HG21 :: 1.014 HG22 :: 1.014 HG23 :: 1.014 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.095 Ave N Shift Values>> N :: 121.02(4.96) 1.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.08 R 0.02 C Shift Assignments>> C :: 175.359 CA :: 45.582 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.162 HA2 :: 3.956 HA3 :: 3.804 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.598 Ave N Shift Values>> N :: 109.91(4.29) 1.R43 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.46 W 0.13 P 0.1 V 0.1 E 0.05 R 0.04 K 0.03 H 0.03 Q 0.02 HN Overlap>> 1.K107 1.K107 C Shift Assignments>> C :: 178.639 CA :: 62.090 CB :: 29.111 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.466 HA :: 3.474 HB2 :: 1.820 HB3 :: 1.940 HG2 :: 1.290 HG3 :: 1.160 HD2 :: 3.082 HD3 :: 2.675 HE :: 9.166(S) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.463 NE :: 84.552 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.R44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.27 W 0.17 V 0.12 E 0.09 P 0.08 R 0.07 H 0.05 K 0.04 Q 0.04 M 0.01 C Shift Assignments>> C :: 179.058 CA :: 61.239 CB :: 29.808 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 6.871 HA :: 3.863 HB2 :: 1.829 HB3 :: 1.922 HG2 :: 1.558 HG3 :: 1.587 HD2 :: 3.283 HD3 :: 3.045 HE :: 7.494 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 113.339 NE :: 84.071 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.T45 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.149 CA :: 69.216(A) CB :: 68.687 CG2 :: 22.145 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.471 HA :: 3.391 HB :: 3.813 HG1 :: 6.411 HG21 :: 0.817 HG22 :: 0.817 HG23 :: 0.817 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.606 Ave N Shift Values>> N :: 115.7(5.05) 1.Y46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.82 F 0.17 C Shift Assignments>> C :: 176.460 CA :: 62.249 CB :: 39.412 CD1 :: 133.843 CD2 :: 133.843 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.673 HA :: 3.542 HB2 :: 2.852 HB3 :: 2.852 HD1 :: 7.011 HD2 :: 7.011 HE1 :: 7.129 HE2 :: 7.129 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 124.419 Ave N Shift Values>> N :: 120.79(4.69) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.14 F 0.13 Y 0.11 W 0.1 E 0.08 R 0.07 K 0.06 Q 0.05 H 0.05 M 0.04 I 0.04 V 0.03 T 0.02 L 0.02 C Shift Assignments>> C :: 175.913 CA :: 58.634 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.388 HA :: 3.548 HB2 :: 1.910 HB3 :: 2.034 HG2 :: 2.208 HG3 :: 2.208 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 110.976 Ave N Shift Values>> N :: 120.68(3.68) 1.S48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 174.884 CA :: 59.908 CB :: 65.165 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.509 HA :: 4.306 HB2 :: 3.998 HB3 :: 3.885 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.866 Ave N Shift Values>> N :: 116.3(3.95) 1.F49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.66 Y 0.33 C Shift Assignments>> CA :: 53.209 CB :: 38.250 CD1 :: 132.339 CD2 :: 132.339 CE1 :: 132.687 CE2 :: 132.687 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.308 HA :: 5.049 HB2 :: 2.972 HB3 :: 3.045 HD1 :: 7.102 HD2 :: 7.102 HE1 :: 7.327 HE2 :: 7.327 HZ :: 7.121 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 126.079 Ave N Shift Values>> N :: 120.69(4.18) 1.P50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.98 S 0.01 C Shift Assignments>> C :: 177.000 CA :: 65.531 CB :: 32.697 CD :: 51.858 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.213 HB2 :: 2.299 HD2 :: 4.164 HD3 :: 3.913 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.25 Q 0.23 K 0.19 E 0.15 W 0.03 H 0.03 R 0.02 Y 0.02 V 0.01 N 0.01 C Shift Assignments>> C :: 173.713 CA :: 55.584 CB :: 34.535 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.413 HA :: 4.453 HB2 :: 1.532 HB3 :: 1.628 HG2 :: 2.038 HG3 :: 1.889 HD2 :: 1.262 HD3 :: 1.262 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.704 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.99 C Shift Assignments>> CA :: 53.411 CB :: 31.207 CZ :: 159.500 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.338 HA :: 4.357 HB2 :: 1.633 HB3 :: 1.410 HG2 :: 0.983 HG3 :: 1.275 HD2 :: 2.747 HE :: 6.742 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.894 NE :: 84.148 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.P53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.51 I 0.22 P 0.12 E 0.03 Y 0.03 K 0.01 W 0.01 F 0.01 M 0.01 C Shift Assignments>> C :: 176.842 CA :: 62.974 CB :: 34.991 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.574 HB2 :: 2.370 HB3 :: 2.032 HG2 :: 1.865 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 K 0.32 A 0.1 C Shift Assignments>> CA :: 54.009 CB :: 40.659 CD1 :: 27.434 CD2 :: 23.086 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.738 HA :: 4.488 HB2 :: 1.077 HB3 :: 1.420 HG :: 1.513 HD11 :: 0.355 HD12 :: 0.355 HD13 :: 0.355 HD21 :: 0.550 HD22 :: 0.550 HD23 :: 0.550 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.203 Ave N Shift Values>> N :: 121.98(4.07) 1.P55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.97 S 0.02 C Shift Assignments>> C :: 177.449 CA :: 63.260 CB :: 33.877 CD :: 51.898 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.535 HB2 :: 2.176 HB3 :: 2.038 HG2 :: 2.029 HG3 :: 1.925 HD2 :: 3.911 HD3 :: 3.564 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.15 W 0.14 R 0.14 Q 0.13 I 0.12 E 0.12 H 0.1 L 0.04 M 0.01 C Shift Assignments>> C :: 174.359 CA :: 58.719 CB :: 28.324 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.247 HA :: 3.866 HB2 :: 2.290 HB3 :: 2.340 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 113.351 Ave N Shift Values>> N :: 120.68(3.68) 1.R57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.26 Q 0.24 K 0.19 E 0.12 H 0.03 W 0.03 R 0.02 Y 0.02 V 0.01 N 0.01 C Shift Assignments>> C :: 173.928 CA :: 55.249 CB :: 34.414 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.728 HA :: 4.620 HB2 :: 2.533 HB3 :: 1.836 HG2 :: 1.084 HG3 :: 1.433 HD2 :: 3.679 HD3 :: 3.021 HE :: 5.949 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 113.177 NE :: 82.297 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.T58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.I38 1.I38 C Shift Assignments>> C :: 175.371 CA :: 63.931 CB :: 69.601 CG2 :: 22.596 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.426 HA :: 4.338 HB :: 4.075 HG21 :: 1.076 HG22 :: 1.076 HG23 :: 1.076 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.214 Ave N Shift Values>> N :: 115.7(5.05) 1.N59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.29 L 0.13 F 0.07 Y 0.07 K 0.04 HN Overlap>> 1.W158 1.W158 C Shift Assignments>> C :: 171.815 CA :: 53.091 CB :: 40.376 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.800 HA :: 5.024 HB2 :: 2.137 HB3 :: 3.024 HD21 :: 6.884 HD22 :: 7.985 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 127.228 ND2 :: 111.466 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.387 CA :: 61.309 CB :: 33.183 CG1 :: 23.176 CG2 :: 22.504 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.124 HA :: 4.712 HB :: 1.653 HG11 :: 0.480 HG12 :: 0.480 HG13 :: 0.480 HG21 :: 0.248 HG22 :: 0.248 HG23 :: 0.248 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.597 Ave N Shift Values>> N :: 121.02(4.96) 1.V61 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.E145 1.R142 1.E145 1.R142 C Shift Assignments>> C :: 174.014 CA :: 60.482 CB :: 34.692 CG1 :: 20.484 CG2 :: 20.210 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.616 HA :: 4.496 HB :: 1.268 HG11 :: 0.303 HG12 :: 0.303 HG13 :: 0.303 HG21 :: -0.259(S) HG22 :: -0.259(S) HG23 :: -0.259(S) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.298 Ave N Shift Values>> N :: 121.02(4.96) 1.L62 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.56 G 0.28 R 0.07 K 0.06 C Shift Assignments>> C :: 174.039 CA :: 54.283 CB :: 43.855 CD1 :: 26.486 CD2 :: 25.611 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.724 HA :: 4.402 HB2 :: 0.383(S) HB3 :: 0.462 HG :: 0.338(S) HD11 :: 0.175 HD12 :: 0.175 HD13 :: 0.175 HD21 :: -0.106 HD22 :: -0.106 HD23 :: -0.106 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.508 Ave N Shift Values>> N :: 121.98(4.07) 1.T63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.D109 1.D109 C Shift Assignments>> C :: 174.028 CA :: 61.193 CB :: 70.374 CG2 :: 19.572 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.078 HA :: 5.037 HB :: 3.605 HG21 :: 0.912 HG22 :: 0.912 HG23 :: 0.912 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.002 Ave N Shift Values>> N :: 115.7(5.05) 1.H64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.17 Q 0.16 H 0.13 W 0.13 E 0.13 R 0.12 I 0.04 L 0.04 M 0.02 C Shift Assignments>> C :: 176.138 CA :: 57.261 CB :: 28.622 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 10.585 HA :: 5.030 HB2 :: 3.147 HB3 :: 3.270 HD2 :: 7.163 HE1 :: 7.706 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 127.898 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.Q65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.17 E 0.17 R 0.16 H 0.14 Q 0.12 K 0.08 M 0.07 I 0.03 V 0.02 C Shift Assignments>> C :: 176.771 CA :: 57.647 CB :: 30.376 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.298 HA :: 4.168 HB2 :: 2.233 HB3 :: 2.132 HG2 :: 2.581 HG3 :: 2.022 HE21 :: 7.052 HE22 :: 8.468 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 123.086 NE2 :: 114.247 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.2 E 0.15 R 0.13 I 0.12 H 0.09 V 0.08 Q 0.08 K 0.06 M 0.04 P 0.01 HN Overlap>> 1.L23 1.L23 C Shift Assignments>> C :: 176.681 CA :: 59.825 CB :: 30.282 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.944 HA :: 3.360 HB2 :: 1.857 HB3 :: 1.895 HG2 :: 2.143 HG3 :: 2.230 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 127.331 Ave N Shift Values>> N :: 120.68(3.68) 1.D67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.19 L 0.18 K 0.08 F 0.07 Y 0.06 R 0.01 C Shift Assignments>> C :: 175.814 CA :: 53.433 CB :: 40.877 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.568 HA :: 4.707 HB2 :: 2.652 HB3 :: 2.718 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.548 Ave N Shift Values>> N :: 120.73(4.2) 1.Y68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.218 CA :: 61.232 CB :: 40.883 CD1 :: 133.761 CD2 :: 133.761 CE1 :: 118.687 CE2 :: 118.687 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.150 HA :: 4.039 HB2 :: 3.085 HB3 :: 2.632 HD1 :: 6.801 HD2 :: 6.801 HE1 :: 6.666 HE2 :: 6.666 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 121.387 Ave N Shift Values>> N :: 120.79(4.69) 1.Q69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 R 0.17 M 0.15 W 0.13 E 0.12 Q 0.11 K 0.1 C Shift Assignments>> C :: 173.737 CA :: 55.204 CB :: 30.918 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.849 HA :: 4.254 HB2 :: 1.866 HB3 :: 1.734 HG2 :: 2.281 HG3 :: 2.398 HE21 :: 6.813 HE22 :: 7.396 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 126.624 NE2 :: 113.536 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.16 L 0.03 C Shift Assignments>> C :: 175.055 CA :: 51.831 CB :: 20.451 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.614 HA :: 4.410 HB1 :: 1.151 HB2 :: 1.151 HB3 :: 1.151 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.326 Ave N Shift Values>> N :: 123.23(3.7) 1.Q71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.15 W 0.15 Q 0.13 R 0.13 E 0.12 I 0.11 H 0.11 L 0.03 M 0.01 HN Overlap>> 1.A84 1.A84 C Shift Assignments>> C :: 177.522 CA :: 58.630 CB :: 28.484 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.645 HA :: 4.016 HB2 :: 2.037 HB3 :: 2.037 HG2 :: 2.357 HG3 :: 2.357 HE21 :: 6.848 HE22 :: 7.549 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.682 NE2 :: 112.078 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 173.102 CA :: 46.136 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.979 HA2 :: 4.261 HA3 :: 3.670 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.467 Ave N Shift Values>> N :: 109.91(4.29) 1.A73 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.74 M 0.13 L 0.12 C Shift Assignments>> C :: 175.855 CA :: 50.877 CB :: 21.495 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.989 HA :: 5.856(S) HB1 :: 1.167 HB2 :: 1.167 HB3 :: 1.167 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.340 Ave N Shift Values>> N :: 123.23(3.7) 1.V74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.293 CA :: 62.926 CB :: 33.045 CG1 :: 20.812 CG2 :: 20.787 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.836 HA :: 3.894 HB :: 1.629 HG11 :: 0.347 HG12 :: 0.347 HG13 :: 0.347 HG21 :: 0.532 HG22 :: 0.532 HG23 :: 0.532 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.259 Ave N Shift Values>> N :: 121.02(4.96) 1.V75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.068 CA :: 62.826 CB :: 32.770 CG1 :: 23.238 CG2 :: 23.495 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.476 HA :: 4.346 HB :: 1.917 HG11 :: 0.692 HG12 :: 0.692 HG13 :: 0.692 HG21 :: 0.839 HG22 :: 0.839 HG23 :: 0.839 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 127.970 Ave N Shift Values>> N :: 121.02(4.96) 1.V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 I 0.32 A 0.05 HN Overlap>> 1.H153 1.H153 C Shift Assignments>> C :: 175.187 CA :: 59.106 CB :: 36.404 CG1 :: 22.804 CG2 :: 19.720 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.626 HA :: 4.342 HB :: 2.103 HG11 :: 0.579 HG12 :: 0.579 HG13 :: 0.579 HG21 :: 0.401 HG22 :: 0.401 HG23 :: 0.401 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.491 Ave N Shift Values>> N :: 121.02(4.96) 1.H77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.19 R 0.17 M 0.16 W 0.13 Q 0.12 E 0.11 K 0.1 C Shift Assignments>> C :: 173.577 CA :: 54.638 CB :: 30.899 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.758 HA :: 5.788 HB2 :: 3.099 HB3 :: 3.676 HD2 :: 7.370 HE1 :: 8.393 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 113.154 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.D78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 R 0.24 D 0.13 G 0.12 K 0.05 F 0.03 Y 0.02 N 0.01 C Shift Assignments>> C :: 174.634 CA :: 53.835 CB :: 43.542 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.427 HA :: 4.836 HB2 :: 3.025 HB3 :: 3.227 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 113.767 Ave N Shift Values>> N :: 120.73(4.2) 1.V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.184 CA :: 67.140 CB :: 32.567 CG1 :: 22.118 CG2 :: 23.096 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.489 HA :: 3.310 HB :: 1.785 HG11 :: 0.544 HG12 :: 0.544 HG13 :: 0.544 HG21 :: 0.544 HG22 :: 0.544 HG23 :: 0.544 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.351 Ave N Shift Values>> N :: 121.02(4.96) 1.A80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.66 A 0.2 I 0.1 V 0.01 C Shift Assignments>> C :: 181.130 CA :: 56.325 CB :: 18.247 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.390 HA :: 4.298 HB1 :: 1.491 HB2 :: 1.491 HB3 :: 1.491 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.976 Ave N Shift Values>> N :: 123.23(3.7) 1.A81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.34 L 0.05 V 0.03 T 0.02 I 0.01 C Shift Assignments>> C :: 181.604 CA :: 55.462 CB :: 19.977 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.457 HA :: 4.276 HB1 :: 1.616 HB2 :: 1.616 HB3 :: 1.616 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.940 Ave N Shift Values>> N :: 123.23(3.7) 1.V82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.548 CA :: 67.867 CB :: 31.361 CG1 :: 22.969 CG2 :: 24.893 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.729 HA :: 3.407 HB :: 2.445 HG11 :: 0.964 HG12 :: 0.964 HG13 :: 0.964 HG21 :: 0.603 HG22 :: 0.603 HG23 :: 0.603 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.172 Ave N Shift Values>> N :: 121.02(4.96) 1.F83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 F 0.47 HN Overlap>> 1.H89 1.H89 C Shift Assignments>> C :: 178.841 CA :: 62.796 CB :: 39.022 CD1 :: 132.164 CD2 :: 132.164 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.569 HA :: 4.449 HB2 :: 2.950 HB3 :: 3.308 HD1 :: 7.346 HD2 :: 7.346 HZ :: 7.376 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.668 Ave N Shift Values>> N :: 120.69(4.18) 1.A84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.28 I 0.05 V 0.02 HN Overlap>> 1.Q71 1.Q71 C Shift Assignments>> C :: 179.965 CA :: 55.913 CB :: 18.859 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.616 HA :: 4.198 HB1 :: 1.526 HB2 :: 1.526 HB3 :: 1.526 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.605 Ave N Shift Values>> N :: 123.23(3.7) 1.Y85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 179.000 CA :: 63.075 CB :: 38.866 CD1 :: 133.466 CD2 :: 133.466 CE1 :: 118.643 CE2 :: 118.643 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.840 HA :: 4.078 HB2 :: 3.182 HB3 :: 3.106 HD1 :: 6.932 HD2 :: 6.932 HE1 :: 6.487 HE2 :: 6.487 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.294 Ave N Shift Values>> N :: 120.79(4.69) 1.A86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.19 I 0.08 V 0.04 T 0.01 C Shift Assignments>> C :: 180.689 CA :: 56.517 CB :: 18.884 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.815 HA :: 3.896 HB1 :: 1.683 HB2 :: 1.683 HB3 :: 1.683 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.826 Ave N Shift Values>> N :: 123.23(3.7) 1.K87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.21 K 0.18 Q 0.14 M 0.13 W 0.1 R 0.07 E 0.05 H 0.04 P 0.01 I 0.01 C Shift Assignments>> C :: 178.292 CA :: 59.439 CB :: 33.288 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.138 HA :: 4.028 HB2 :: 1.940 HB3 :: 1.976 HG2 :: 1.667 HG3 :: 1.651 HD2 :: 1.521 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.704 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 Q 0.15 E 0.15 W 0.14 R 0.14 K 0.13 M 0.05 I 0.02 C Shift Assignments>> C :: 174.835 CA :: 56.582 CB :: 29.710 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.244 HA :: 4.050 HB2 :: 1.831 HB3 :: 1.931 HG2 :: 2.275 HG3 :: 2.416 HE21 :: 6.858 HE22 :: 7.362 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 114.758 NE2 :: 112.038 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.H89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.2 Q 0.16 R 0.15 W 0.13 E 0.11 K 0.11 M 0.08 HN Overlap>> 1.F83 1.F83 C Shift Assignments>> CA :: 54.645 CB :: 29.925 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.511 HA :: 4.741 HB2 :: 2.614 HB3 :: 3.451 HD2 :: 6.476 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 117.707 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.P90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.539 CA :: 65.300 CB :: 32.536 CD :: 50.974 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HB2 :: 2.195 HB3 :: 2.060 HG2 :: 1.955 HG3 :: 1.833 HD2 :: 3.448 HD3 :: 3.274 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.D91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.19 F 0.13 N 0.11 Y 0.11 K 0.11 R 0.01 C Shift Assignments>> C :: 175.576 CA :: 54.877 CB :: 40.708 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.888 HA :: 4.487 HB2 :: 2.681 HB3 :: 2.704 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.918 Ave N Shift Values>> N :: 120.73(4.2) 1.Q92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.34 K 0.25 E 0.17 H 0.04 W 0.04 R 0.03 Y 0.03 V 0.01 N 0.01 C Shift Assignments>> C :: 174.795 CA :: 55.403 CB :: 34.447 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.820 HA :: 4.784 HB2 :: 2.186 HB3 :: 2.024 HG2 :: 2.330 HE21 :: 6.923 HE22 :: 6.150 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.982 NE2 :: 108.285 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 K 0.2 R 0.13 W 0.11 H 0.11 Q 0.09 E 0.09 V 0.03 C Shift Assignments>> C :: 174.521 CA :: 56.583 CB :: 32.355 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.476 HA :: 4.301 HB2 :: 1.743 HB3 :: 2.029 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.960 Ave N Shift Values>> N :: 120.68(3.68) 1.L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.25 R 0.06 C Shift Assignments>> C :: 175.800 CA :: 55.212 CB :: 45.588 CG :: 28.071 CD1 :: 26.042 CD2 :: 26.042 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.605 HA :: 4.924 HB2 :: 1.733 HB3 :: 1.500 HG :: 1.372 HD11 :: 0.725 HD12 :: 0.725 HD13 :: 0.725 HD21 :: 0.725 HD22 :: 0.725 HD23 :: 0.725 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.033 Ave N Shift Values>> N :: 121.98(4.07) 1.V95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 172.633 CA :: 61.599 CB :: 35.290 CG1 :: 22.446 CG2 :: 22.601 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.392 HA :: 4.663 HB :: 1.829 HG11 :: 0.773 HG12 :: 0.773 HG13 :: 0.773 HG21 :: 0.845 HG22 :: 0.845 HG23 :: 0.845 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.998 Ave N Shift Values>> N :: 121.02(4.96) 1.I96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 M 0.09 V 0.06 A 0.05 C Shift Assignments>> C :: 175.102 CA :: 59.911 CB :: 35.578 CG1 :: 27.517 CG2 :: 20.672 CD1 :: 9.190 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.824 HA :: 4.167 HB :: 2.605 HG12 :: 0.821 HG13 :: 1.473 HG21 :: 0.351 HG22 :: 0.351 HG23 :: 0.351 HD11 :: -0.281 HD12 :: -0.281 HD13 :: -0.281 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 128.577 Ave N Shift Values>> N :: 121.6(4.72) 1.A97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.14 L 0.03 C Shift Assignments>> CA :: 51.619 CB :: 20.528 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.241 HA :: 5.371 HB1 :: 1.499 HB2 :: 1.499 HB3 :: 1.499 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.014 Ave N Shift Values>> N :: 123.23(3.7) 1.G98 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.41 L 0.29 K 0.07 D 0.06 G 0.05 F 0.05 Y 0.03 I 0.01 C Shift Assignments>> C :: 173.401 CA :: 43.143 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 5.775(S) HA2 :: 4.034 HA3 :: 1.901(S) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 101.289 Ave N Shift Values>> N :: 109.91(4.29) 1.G99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 173.932 CA :: 46.957 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.798 HA2 :: 3.408 HA3 :: 3.800 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.696 Ave N Shift Values>> N :: 109.91(4.29) 1.A100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 I 0.15 A 0.09 V 0.08 T 0.03 C Shift Assignments>> C :: 179.568 CA :: 57.394 CB :: 18.956 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.783 HA :: 3.948 HB1 :: 1.465 HB2 :: 1.465 HB3 :: 1.465 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.668 Ave N Shift Values>> N :: 123.23(3.7) 1.Q101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.37 E 0.29 K 0.15 Q 0.1 P 0.03 R 0.01 M 0.01 C Shift Assignments>> C :: 179.846 CA :: 61.083 CB :: 28.863 CG :: 35.171 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.399 HA :: 4.055 HB2 :: 2.318 HB3 :: 2.579 HG2 :: 3.004 HG3 :: 2.381 HE21 :: 6.994 HE22 :: 7.508 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.335 NE2 :: 110.725 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 M 0.13 C Shift Assignments>> C :: 177.980 CA :: 63.435 CB :: 37.002 CG1 :: 32.605 CG2 :: 21.399 CD1 :: 13.052 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.102 HA :: 3.668 HB :: 1.333 HG12 :: 0.619 HG13 :: 1.371 HG21 :: 0.395 HG22 :: 0.395 HG23 :: 0.395 HD11 :: 0.016 HD12 :: 0.016 HD13 :: 0.016 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.085 Ave N Shift Values>> N :: 121.6(4.72) 1.F103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.37 Y 0.27 F 0.19 E 0.12 V 0.01 M 0.01 C Shift Assignments>> C :: 178.467 CA :: 60.144 CB :: 37.652 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.451 HA :: 4.058 HB2 :: 2.711 HB3 :: 2.491 HD1 :: 5.773 HD2 :: 5.773 HE1 :: 6.835 HE2 :: 6.835 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.159 Ave N Shift Values>> N :: 120.69(4.18) 1.T104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.517 CA :: 68.602 CB :: 69.320 CG2 :: 22.666 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.260 HA :: 3.725 HB :: 4.467 HG21 :: 1.216 HG22 :: 1.216 HG23 :: 1.216 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.203 Ave N Shift Values>> N :: 115.7(5.05) 1.A105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.33 I 0.04 V 0.01 C Shift Assignments>> C :: 178.619 CA :: 55.473 CB :: 18.276 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.667 HA :: 4.065 HB1 :: 1.309 HB2 :: 1.309 HB3 :: 1.309 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.960 Ave N Shift Values>> N :: 123.23(3.7) 1.F106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.44 Y 0.39 G 0.15 C Shift Assignments>> C :: 176.931 CA :: 60.246 CB :: 42.691 CD1 :: 133.493 CD2 :: 133.493 CE1 :: 131.673 CE2 :: 131.673 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.549 HA :: 4.883 HB2 :: 3.835 HB3 :: 2.919 HD1 :: 7.564 HD2 :: 7.564 HE1 :: 6.612 HE2 :: 6.612 HZ :: 6.709 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 112.630 Ave N Shift Values>> N :: 120.69(4.18) 1.K107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.42 P 0.18 W 0.09 K 0.06 R 0.04 I 0.04 M 0.04 E 0.03 Q 0.02 H 0.02 HN Overlap>> 1.R43 1.R43 C Shift Assignments>> C :: 176.156 CA :: 61.320 CB :: 32.685 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.510 HA :: 4.038 HB2 :: 1.927 HB3 :: 2.076 HG2 :: 1.587 HG3 :: 1.302 HD2 :: 1.770 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.464 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 F 0.18 L 0.18 Y 0.14 D 0.11 R 0.08 I 0.02 N 0.01 C Shift Assignments>> C :: 176.257 CA :: 57.130 CB :: 41.410 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.626 HA :: 4.773 HB2 :: 2.473 HB3 :: 2.786 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.370 Ave N Shift Values>> N :: 120.73(4.2) 1.D109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.19 R 0.06 D 0.01 F 0.01 HN Overlap>> 1.T147 1.T63 1.T147 1.T63 C Shift Assignments>> C :: 175.002 CA :: 55.481 CB :: 45.431 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.980 HA :: 4.838 HB2 :: 2.626 HB3 :: 3.104 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.953 Ave N Shift Values>> N :: 120.73(4.2) 1.V110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 I 0.01 C Shift Assignments>> C :: 173.695 CA :: 62.293 CB :: 33.568 CG1 :: 18.805 CG2 :: 18.805 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.938 HA :: 3.870 HB :: 1.205 HG11 :: 0.332 HG12 :: 0.332 HG13 :: 0.332 HG21 :: 0.332 HG22 :: 0.332 HG23 :: 0.332 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.074 Ave N Shift Values>> N :: 121.02(4.96) 1.D111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.37 L 0.31 R 0.21 D 0.03 F 0.02 Y 0.02 C Shift Assignments>> C :: 175.796 CA :: 55.417 CB :: 44.577 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.842 HA :: 4.931 HB2 :: 2.732 HB3 :: 3.029 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.884 Ave N Shift Values>> N :: 120.73(4.2) 1.T112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.027 CA :: 62.700 CB :: 74.041 CG2 :: 22.127 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.761 HA :: 5.512 HB :: 3.840 HG21 :: 1.344 HG22 :: 1.344 HG23 :: 1.344 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.752 Ave N Shift Values>> N :: 115.7(5.05) 1.L113 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.83 R 0.1 A 0.03 G 0.01 C Shift Assignments>> C :: 174.260 CA :: 54.237 CB :: 42.049 CG :: 27.422 CD1 :: 23.572 CD2 :: 25.053 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.566 HA :: 4.934 HB2 :: 1.333 HB3 :: 1.821 HG :: 0.858 HD11 :: 0.208 HD12 :: 0.208 HD13 :: 0.208 HD21 :: -1.028(S) HD22 :: -1.028(S) HD23 :: -1.028(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.334 Ave N Shift Values>> N :: 121.98(4.07) 1.L114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 R 0.31 K 0.03 G 0.03 HN Overlap>> 1.R117 1.R117 C Shift Assignments>> C :: 174.291 CA :: 54.472 CB :: 42.397 CG :: 27.576 CD1 :: 26.944 CD2 :: 25.904 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.241 HA :: 5.176 HB2 :: 1.275 HB3 :: 1.670 HG :: 1.654 HD11 :: 0.880 HD12 :: 0.880 HD13 :: 0.880 HD21 :: 0.988 HD22 :: 0.988 HD23 :: 0.988 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.450 Ave N Shift Values>> N :: 121.98(4.07) 1.V115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 I 0.04 A 0.01 C Shift Assignments>> C :: 174.772 CA :: 59.581 CB :: 35.681 CG1 :: 20.911 CG2 :: 22.768 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.021 HA :: 4.438 HB :: 0.929 HG11 :: 0.488 HG12 :: 0.488 HG13 :: 0.488 HG21 :: -0.033 HG22 :: -0.033 HG23 :: -0.033 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.749 Ave N Shift Values>> N :: 121.02(4.96) 1.T116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.241 CA :: 61.535 CB :: 69.346 CG2 :: 22.585 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.542 HA :: 4.902 HB :: 3.948 HG21 :: 0.517 HG22 :: 0.517 HG23 :: 0.517 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 124.255 Ave N Shift Values>> N :: 115.7(5.05) 1.R117 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.24 K 0.19 R 0.13 H 0.13 W 0.1 Q 0.08 E 0.07 V 0.01 HN Overlap>> 1.L114 1.L114 C Shift Assignments>> C :: 176.243 CA :: 55.182 CB :: 32.256 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.252 HA :: 4.817 HB2 :: 1.726 HB3 :: 1.389 HG2 :: 1.688 HD2 :: 2.359(S) HD3 :: 2.201(S) HE :: 8.508 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 126.452 NE :: 83.090 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L118 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.63 K 0.27 G 0.07 C Shift Assignments>> C :: 177.137 CA :: 57.082 CB :: 42.998 CG :: 32.063(S) CD1 :: 24.103 CD2 :: 26.329 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.212 HA :: 4.604 HB2 :: 1.756 HB3 :: 0.955 HG :: 0.793 HD11 :: -0.332(S) HD12 :: -0.332(S) HD13 :: -0.332(S) HD21 :: -0.511(S) HD22 :: -0.511(S) HD23 :: -0.511(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 129.338 Ave N Shift Values>> N :: 121.98(4.07) 1.A119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.46 M 0.42 L 0.06 V 0.02 T 0.01 C Shift Assignments>> C :: 179.835 CA :: 54.605 CB :: 20.259 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.226 HA :: 3.982 HB1 :: 1.350 HB2 :: 1.350 HB3 :: 1.350 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.269 Ave N Shift Values>> N :: 123.23(3.7) 1.G120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 R 0.04 C Shift Assignments>> C :: 170.323 CA :: 45.238 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.135 HA2 :: 4.119 HA3 :: 3.497 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.270 Ave N Shift Values>> N :: 109.91(4.29) 1.S121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 174.063 CA :: 57.132 CB :: 65.356 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.646 HA :: 4.987 HB3 :: 3.511 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.442 Ave N Shift Values>> N :: 116.3(3.95) 1.F122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.65 F 0.21 G 0.13 C Shift Assignments>> C :: 173.808 CA :: 57.444 CB :: 42.911 CD1 :: 133.561 CD2 :: 133.561 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.646 HA :: 4.747 HB2 :: 2.877 HB3 :: 3.353 HD1 :: 7.536 HD2 :: 7.536 HE1 :: 8.613 HE2 :: 8.613 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 126.406 Ave N Shift Values>> N :: 120.69(4.18) 1.E123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 K 0.19 R 0.13 H 0.12 W 0.11 E 0.09 Q 0.08 V 0.02 C Shift Assignments>> C :: 176.220 CA :: 56.035 CB :: 32.232 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.244 HA :: 4.664 HB2 :: 1.929 HB3 :: 2.014 HG2 :: 2.332 HG3 :: 2.217 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.313 Ave N Shift Values>> N :: 120.68(3.68) 1.G124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.04 A 0.02 P 0.02 C Shift Assignments>> C :: 171.946 CA :: 47.293 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.439 HA2 :: 4.162 HA3 :: 4.050 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.570 Ave N Shift Values>> N :: 109.91(4.29) 1.D125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 L 0.3 R 0.16 D 0.05 F 0.01 Y 0.01 C Shift Assignments>> C :: 176.192 CA :: 53.910 CB :: 44.483 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.490 HA :: 4.918 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.285 Ave N Shift Values>> N :: 120.73(4.2) 1.T126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.552 CA :: 63.245 CB :: 73.315 CG2 :: 21.659 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.671 HA :: 4.739 HB :: 3.589 HG21 :: 1.212 HG22 :: 1.212 HG23 :: 1.212 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.122 Ave N Shift Values>> N :: 115.7(5.05) 1.K127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 M 0.17 Y 0.12 N 0.09 K 0.09 F 0.05 Q 0.04 I 0.02 C Shift Assignments>> C :: 175.244 CA :: 55.606 CB :: 36.101 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.123 HA :: 5.022 HB2 :: 1.652 HB3 :: 1.899 HG2 :: 1.234 HG3 :: 1.216 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 128.995 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.M128 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> M 0.86 A 0.13 C Shift Assignments>> C :: 175.674 CA :: 55.159 CB :: 30.739 CG :: 33.124 CE :: 15.520 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 9.071 HA :: 4.145 HB2 :: 1.318 HB3 :: 1.907 HG2 :: 2.845 HG3 :: 2.192 HE1 :: -0.315(A) HE2 :: -0.315(A) HE3 :: -0.315(A) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.850 Ave N Shift Values>> N :: 120.1(3.88) 1.I129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 V 0.24 C Shift Assignments>> CA :: 60.550 CG2 :: 20.977 CD1 :: 16.011 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.226 HA :: 4.341 HB :: 1.917 HG12 :: 1.237 HG13 :: 0.665 HG21 :: 1.089 HG22 :: 1.089 HG23 :: 1.089 HD11 :: 0.731 HD12 :: 0.731 HD13 :: 0.731 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.281 Ave N Shift Values>> N :: 121.6(4.72) 1.P130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.139 CA :: 64.087 CB :: 32.253 CD :: 51.211 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.449 HB2 :: 1.817 HB3 :: 2.269 HD2 :: 3.834 HD3 :: 3.584 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.L131 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.74 L 0.2 R 0.03 A 0.01 C Shift Assignments>> C :: 175.804 CA :: 53.695 CB :: 45.728 CG :: 26.643 CD1 :: 27.680 CD2 :: 24.099 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.511 HA :: 4.304 HB2 :: 0.193(S) HB3 :: 0.467 HG :: 1.167 HD11 :: -0.102 HD12 :: -0.102 HD13 :: -0.102 HD21 :: 0.362 HD22 :: 0.362 HD23 :: 0.362 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.439 Ave N Shift Values>> N :: 121.98(4.07) 1.N132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.68 M 0.07 E 0.06 Y 0.06 D 0.04 F 0.03 K 0.01 C Shift Assignments>> C :: 175.929 CA :: 51.941 CB :: 36.718 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.872 HA :: 4.952 HB2 :: 2.668 HB3 :: 3.002 HD21 :: 6.915 HD22 :: 7.619 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.022 ND2 :: 112.550 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.W133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.43 W 0.13 V 0.11 P 0.11 E 0.05 R 0.04 K 0.03 H 0.03 Q 0.02 C Shift Assignments>> C :: 177.438 CA :: 62.072 CB :: 29.300 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.845 HA :: 3.711 HB2 :: 2.922 HB3 :: 3.163 HD1 :: 7.378 HE1 :: 9.986 HE3 :: 5.645 HZ2 :: 7.556 HZ3 :: 4.434 HH2 :: 6.571 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 123.936 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.D134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 L 0.21 F 0.15 D 0.13 Y 0.12 R 0.09 I 0.01 N 0.01 C Shift Assignments>> C :: 176.710 CA :: 56.583 CB :: 41.567 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.250 HA :: 4.730 HB2 :: 2.807 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.401 Ave N Shift Values>> N :: 120.73(4.2) 1.D135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 K 0.21 D 0.2 F 0.11 Y 0.09 R 0.07 N 0.04 C Shift Assignments>> C :: 174.549 CA :: 55.492 CB :: 41.513 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.999 HA :: 4.712 HB2 :: 2.738 HB3 :: 2.479 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.753 Ave N Shift Values>> N :: 120.73(4.2) 1.F136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.11 R 0.06 F 0.02 Y 0.01 C Shift Assignments>> C :: 173.807 CA :: 57.940 CB :: 45.566 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.288 HA :: 5.153 HB2 :: 3.213 HB3 :: 3.288 HD1 :: 6.903 HD2 :: 6.903 HE1 :: 6.818 HE2 :: 6.818 HZ :: 7.465 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.502 Ave N Shift Values>> N :: 120.69(4.18) 1.T137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.962 CA :: 61.279 CB :: 72.163 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.343 HA :: 4.798 HB :: 3.929 HG21 :: 1.148 HG22 :: 1.148 HG23 :: 1.148 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.255 Ave N Shift Values>> N :: 115.7(5.05) 1.K138 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> K 0.59 R 0.34 M 0.04 C Shift Assignments>> C :: 176.295 CA :: 57.829 CB :: 30.331 CG :: 24.895 CD :: 29.831 CE :: 41.781 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.652 HA :: 3.552 HB2 :: -0.880(A) HB3 :: 1.061 HG2 :: 0.536 HG3 :: 0.054(S) HD2 :: 1.252 HD3 :: 1.135 HE2 :: 2.597 HE3 :: 2.472 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 131.155 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.093 CA :: 63.150 CB :: 33.516 CG1 :: 22.118 CG2 :: 20.703 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.176 HA :: 4.191 HB :: 2.094 HG11 :: 0.865 HG12 :: 0.865 HG13 :: 0.865 HG21 :: 0.865 HG22 :: 0.865 HG23 :: 0.865 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.855 Ave N Shift Values>> N :: 121.02(4.96) 1.S140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.9 T 0.09 C Shift Assignments>> C :: 172.499 CA :: 58.545 CB :: 65.961 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.445 HA :: 4.558 HB2 :: 3.667 HB3 :: 3.782 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.039 Ave N Shift Values>> N :: 116.3(3.95) 1.S141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 173.054 CA :: 58.331 CB :: 65.336 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.096 HA :: 5.274 HB2 :: 3.393 HB3 :: 3.542 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.304 Ave N Shift Values>> N :: 116.3(3.95) 1.R142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.3 E 0.26 R 0.04 I 0.03 M 0.03 HN Overlap>> 1.E145 1.E145 1.V61 1.V61 C Shift Assignments>> C :: 173.934 CA :: 56.682 CB :: 34.717 CG :: 28.515 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.614 HA :: 4.688 HB2 :: 1.895 HB3 :: 1.856 HG2 :: 1.521 HG3 :: 1.611 HD2 :: 3.301 HD3 :: 3.144 HE :: 7.305 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 126.257 NE :: 121.894 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.T143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.206 CA :: 63.639 CB :: 71.410 CG2 :: 22.061 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.123 HA :: 4.707 HB :: 3.730 HG1 :: 7.604 HG21 :: 0.818 HG22 :: 0.818 HG23 :: 0.818 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 123.734 Ave N Shift Values>> N :: 115.7(5.05) 1.V144 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.224 CA :: 62.313 CB :: 33.629 CG1 :: 21.567 CG2 :: 21.567 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.139 HA :: 3.922 HB :: 0.622(S) HG11 :: 0.798 HG12 :: 0.798 HG13 :: 0.798 HG21 :: 0.798 HG22 :: 0.798 HG23 :: 0.798 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 130.575 Ave N Shift Values>> N :: 121.02(4.96) 1.E145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.16 M 0.15 W 0.14 H 0.14 E 0.13 K 0.13 Q 0.09 V 0.02 I 0.01 HN Overlap>> 1.R142 1.V61 1.R142 1.V61 C Shift Assignments>> C :: 175.536 CA :: 56.868 CB :: 31.366 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.546 HA :: 4.405 HB2 :: 1.790 HG2 :: 2.170 HG3 :: 2.041 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 126.259 Ave N Shift Values>> N :: 120.68(3.68) 1.D146 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.09 C Shift Assignments>> C :: 174.275 CA :: 53.534 CB :: 47.535(S) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.173 HA :: 4.815 HB2 :: 1.996 HB3 :: 3.058 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.806 Ave N Shift Values>> N :: 120.73(4.2) 1.T147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.D109 1.D109 C Shift Assignments>> C :: 175.453 CA :: 65.829 CB :: 69.557 CG2 :: 22.740 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.910 HA :: 3.836 HB :: 4.088 HG21 :: 1.226 HG22 :: 1.226 HG23 :: 1.226 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.972 Ave N Shift Values>> N :: 115.7(5.05) 1.N148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.68 D 0.2 Y 0.03 F 0.03 L 0.02 C Shift Assignments>> CA :: 50.164 CB :: 39.057 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.869 HA :: 5.071 HB2 :: 2.778 HB3 :: 3.335 HD21 :: 7.237 HD22 :: 7.921 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 122.437 ND2 :: 110.680 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.98 S 0.01 C Shift Assignments>> C :: 178.904 CA :: 65.079 CB :: 32.757 CD :: 51.829 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.358 HB2 :: 1.926 HG2 :: 2.007 HG3 :: 2.368 HD2 :: 4.111 HD3 :: 3.914 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.A150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.45 M 0.44 L 0.05 V 0.02 T 0.01 C Shift Assignments>> C :: 177.698 CA :: 54.737 CB :: 20.139 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.667 HA :: 3.895 HB1 :: 1.333 HB2 :: 1.333 HB3 :: 1.333 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.171 Ave N Shift Values>> N :: 123.23(3.7) 1.L151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 K 0.27 A 0.02 G 0.01 R 0.01 C Shift Assignments>> C :: 178.486 CA :: 54.246 CB :: 41.973 CD1 :: 26.597 CD2 :: 23.767 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.090 HA :: 4.308 HB2 :: 1.924 HB3 :: 1.570 HD11 :: 1.077 HD12 :: 1.077 HD13 :: 1.077 HD21 :: 0.806 HD22 :: 0.806 HD23 :: 0.806 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 111.957 Ave N Shift Values>> N :: 121.98(4.07) 1.T152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.414 CA :: 65.595 CB :: 69.995 CG2 :: 23.151 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.345 HA :: 4.192 HB :: 4.117 HG1 :: 5.682 HG21 :: 1.059 HG22 :: 1.059 HG23 :: 1.059 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 124.375 Ave N Shift Values>> N :: 115.7(5.05) 1.H153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.45 W 0.29 F 0.24 HN Overlap>> 1.V76 1.V76 C Shift Assignments>> C :: 171.595 CA :: 53.028 CE1 :: 138.547 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.603 HA :: 5.683 HB2 :: 2.117 HB3 :: 2.572 HD2 :: 5.997 HE1 :: 9.109 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 120.434 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.T154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.518 CA :: 61.123 CB :: 72.234 CG2 :: 22.987 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.596 HA :: 4.919 HB :: 3.675 HG21 :: 1.000 HG22 :: 1.000 HG23 :: 1.000 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.553 Ave N Shift Values>> N :: 115.7(5.05) 1.Y155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.693 CA :: 57.210 CB :: 39.813 CD1 :: 133.982 CD2 :: 133.982 CE1 :: 118.487 CE2 :: 118.487 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.149 HA :: 5.157 HB2 :: 2.656 HB3 :: 3.058 HD1 :: 6.702 HD2 :: 6.702 HE1 :: 6.128 HE2 :: 6.128 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 126.264 Ave N Shift Values>> N :: 120.79(4.69) 1.E156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 E 0.33 C Shift Assignments>> C :: 176.441 CA :: 54.790 CB :: 34.994 CG :: 36.761 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.886 HA :: 5.291 HB2 :: 1.981 HB3 :: 2.350 HG2 :: 2.230 HG3 :: 2.079 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.234 Ave N Shift Values>> N :: 120.68(3.68) 1.V157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.665 CA :: 62.551 CB :: 34.702 CG1 :: 21.346 CG2 :: 21.346 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.759 HA :: 5.228 HB :: 1.923 HG11 :: 0.881 HG12 :: 0.881 HG13 :: 0.881 HG21 :: 0.881 HG22 :: 0.881 HG23 :: 0.881 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.925 Ave N Shift Values>> N :: 121.02(4.96) 1.W158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 K 0.19 R 0.14 H 0.13 W 0.11 E 0.08 Q 0.08 V 0.01 HN Overlap>> 1.N59 1.N59 C Shift Assignments>> C :: 175.999 CA :: 55.465 CB :: 32.185 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.786 HA :: 5.869 HB2 :: 3.375 HB3 :: 3.017 HD1 :: 7.036 HE1 :: 9.244 HE3 :: 7.441 HZ2 :: 7.255 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 127.181 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.Q159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.36 K 0.27 H 0.09 R 0.08 W 0.07 E 0.04 Q 0.02 V 0.01 C Shift Assignments>> C :: 175.904 CA :: 54.737 CB :: 33.444 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.483 HA :: 5.567 HB2 :: 2.162 HB3 :: 2.020 HG2 :: 2.499 HG3 :: 2.416 HE21 :: 6.781 HE22 :: 7.593 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.252 NE2 :: 111.465 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 Q 0.2 M 0.17 V 0.1 W 0.08 E 0.06 R 0.06 H 0.05 Y 0.01 C Shift Assignments>> C :: 176.807 CA :: 58.365 CB :: 33.548 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.886 HA :: 3.697 HB2 :: 1.506 HB3 :: 1.766 HG2 :: 1.346 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 127.478 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.21 K 0.2 M 0.17 E 0.11 V 0.1 W 0.06 R 0.04 H 0.03 Y 0.02 I 0.01 C Shift Assignments>> C :: 175.496 CA :: 58.441 CB :: 34.011 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.556 HA :: 4.069 HB2 :: 1.776 HB3 :: 1.549 HG3 :: 1.379 HD3 :: 1.159 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 127.159 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.36 A 0.36 L 0.2 V 0.02 T 0.01 C Shift Assignments>> CA :: 54.460 CB :: 21.168 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.985 HA :: 4.078 HB1 :: 1.271 HB2 :: 1.271 HB3 :: 1.271 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.110 Ave N Shift Values>> N :: 123.23(3.7) 2.NDP1 Overall Status: Residue type NDP not supported. ########################################################################### Overall Results: #Consistent: 143 #Clerical: 0 #Suspicious: 13 #Anomalous: 6 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 161 #Suspicious: 1 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 162 #Suspicious: 0 C Shift Results: #Consistent: 587 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 2 H Shift Results: #Consistent:1074 #Duplicate: 0 #Unknown: 0 #Suspicious: 26 #Anomalous: 6 N Shift Results: #Consistent: 173 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.A2 HA = 5.961(S), Expected = 4.26, Std = 0.4200, ChiSquare = 5.1218e-05 1.L4 CD2 = 30.199(A), Expected = 24.10, Std = 1.7800, ChiSquare = 6.1163e-04 1.L4 HA = 5.879(S), Expected = 4.32, Std = 0.4700, ChiSquare = 9.0983e-04 1.A6 H = 10.551(S), Expected = 8.20, Std = 0.6000, ChiSquare = 8.9163e-05 1.Q7 CB = 36.455(S), Expected = 29.10, Std = 1.9700, ChiSquare = 1.8884e-04 1.Q7 HA = 6.302(A), Expected = 4.28, Std = 0.4400, ChiSquare = 4.3181e-06 1.P20 HD3 = 0.217(A), Expected = 3.63, Std = 0.4000, ChiSquare = 1.4322e-17 1.R43 HE = 9.166(S), Expected = 7.32, Std = 0.5200, ChiSquare = 3.8523e-04 1.T45 CA = 69.216(A), Expected = 62.15, Std = 2.7200, ChiSquare = 9.3825e-03 1.V61 HG21 = -0.259(S), Expected = 0.83, Std = 0.2900, ChiSquare = 1.7322e-04 1.V61 HG22 = -0.259(S), Expected = 0.83, Std = 0.2900, ChiSquare = 1.7322e-04 1.V61 HG23 = -0.259(S), Expected = 0.83, Std = 0.2900, ChiSquare = 1.7322e-04 1.L62 HB2 = 0.383(S), Expected = 1.63, Std = 0.3400, ChiSquare = 2.4479e-04 1.L62 HG = 0.338(S), Expected = 1.54, Std = 0.3300, ChiSquare = 2.7008e-04 1.A73 HA = 5.856(S), Expected = 4.26, Std = 0.4200, ChiSquare = 1.4470e-04 1.G98 H = 5.775(S), Expected = 8.34, Std = 0.7400, ChiSquare = 5.2784e-04 1.G98 HA3 = 1.901(S), Expected = 3.93, Std = 0.4000, ChiSquare = 3.9262e-07 1.L113 HD21 = -1.028(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.7060e-10 1.L113 HD22 = -1.028(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.7060e-10 1.L113 HD23 = -1.028(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.7060e-10 1.R117 HD2 = 2.359(S), Expected = 3.13, Std = 0.2300, ChiSquare = 8.0180e-04 1.R117 HD3 = 2.201(S), Expected = 3.13, Std = 0.2200, ChiSquare = 2.4136e-05 1.L118 Typing: Suspicious 1.L118 CG = 32.063(S), Expected = 26.77, Std = 1.2500, ChiSquare = 2.2916e-05 1.L118 HD11 = -0.332(S), Expected = 0.77, Std = 0.2700, ChiSquare = 4.4750e-05 1.L118 HD12 = -0.332(S), Expected = 0.77, Std = 0.2700, ChiSquare = 4.4750e-05 1.L118 HD13 = -0.332(S), Expected = 0.77, Std = 0.2700, ChiSquare = 4.4750e-05 1.L118 HD21 = -0.511(S), Expected = 0.76, Std = 0.2800, ChiSquare = 5.6445e-06 1.L118 HD22 = -0.511(S), Expected = 0.76, Std = 0.2800, ChiSquare = 5.6445e-06 1.L118 HD23 = -0.511(S), Expected = 0.76, Std = 0.2800, ChiSquare = 5.6445e-06 1.M128 HE1 = -0.315(A), Expected = 1.86, Std = 0.4700, ChiSquare = 3.6982e-06 1.M128 HE2 = -0.315(A), Expected = 1.86, Std = 0.4700, ChiSquare = 3.6982e-06 1.M128 HE3 = -0.315(A), Expected = 1.86, Std = 0.4700, ChiSquare = 3.6982e-06 1.L131 HB2 = 0.193(S), Expected = 1.63, Std = 0.3400, ChiSquare = 2.3739e-05 1.K138 HB2 = -0.880(A), Expected = 1.79, Std = 0.2500, ChiSquare = 1.2627e-26 1.K138 HG3 = 0.054(S), Expected = 1.37, Std = 0.2900, ChiSquare = 5.6809e-06 1.V144 HB = 0.622(S), Expected = 1.99, Std = 0.3300, ChiSquare = 3.3914e-05 1.D146 CB = 47.535(S), Expected = 40.70, Std = 1.6700, ChiSquare = 4.2617e-05