M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.33 A 0.19 C Shift Assignments>> C :: 175.011 CA :: 54.712 CB :: 33.01 CG :: 31.646 CE :: 16.914 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 :: 8.229 HA :: 4.374 HB3 :: 1.908 HG2 :: 2.463 HG3 :: 2.468 HE :: 2.011 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 :: 119.945 Ave N Shift Values>> N :: 120.1(3.88) A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.14 C 0.02 C Shift Assignments>> C :: 177.763 CA :: 51.643 CB :: 19.267 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.147 HA :: 2.997 HB :: 1.278 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.65 Ave N Shift Values>> N :: 123.23(3.7) K3 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.36 K 0.33 R 0.27 M 0.01 C Shift Assignments>> C :: 174.298 CA :: 57.006 CB :: 32.787 CG :: 26.485 CD :: 29.339 CE :: 41.916 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 :: 3.63(M) HA :: 3.603 HB2 :: 0.705(S) HB3 :: 1.445 HG2 :: 0.909 HG3 :: 0.963 HD2 :: 1.465 HD3 :: 1.469 HE2 :: 2.932 HE3 :: 2.924 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 :: 114.564 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V4 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.57 V 0.41 C Shift Assignments>> C :: 173.884 CA :: 59.888 CB :: 34.668 CG1 :: 21.362 CG2 :: 23.183 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 :: 5.621(S) HA :: 4.911 HB :: 1.613 HG1 :: 1.002 HG2 :: 0.844 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 :: 114.169 Ave N Shift Values>> N :: 121.02(4.96) Q5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 C 0.23 K 0.14 Q 0.11 H 0.08 R 0.07 W 0.05 E 0.02 C Shift Assignments>> C :: 175.167 CA :: 53.289 CG :: 32.844 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 :: 8.908 HA :: 4.757 HB2 :: 2.093 HB3 :: 1.911 HG2 :: 2.24 HG3 :: 2.246 HE21 :: 7.545 HE22 :: 6.696 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 :: 123.548 NE2 :: 111.626 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 C 0.2 C Shift Assignments>> C :: 174.984 CA :: 63.323 CB :: 31.591 CG1 :: 22.929 CG2 :: 21.738 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 :: 9.235 HA :: 4.281 HB :: 2.129 HG1 :: 1.184 HG2 :: 0.997 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 :: 125.071 Ave N Shift Values>> N :: 121.02(4.96) N7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.15 N 0.12 C 0.12 F 0.11 Y 0.1 K 0.07 R 0.01 C Shift Assignments>> C :: 175.108 CA :: 54.661 CB :: 40.537 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 :: 9.019 HA :: 4.816 HB2 :: 2.363 HB3 :: 2.823 HD21 :: 7.271 HD22 :: 7.018 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 :: 127.128 ND2 :: 107.278 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) N8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.19 N 0.13 C 0.11 K 0.09 F 0.05 Y 0.04 R 0.03 C Shift Assignments>> C :: 172.663 CA :: 52.957 CB :: 41.385 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 :: 7.969 HA :: 4.914 HB2 :: 2.774 HB3 :: 2.78 HD21 :: 7.505 HD22 :: 6.758 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 :: 114.725 ND2 :: 112.009 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> C :: 174.547 CA :: 61.908 CB :: 34.224 CG1 :: 21.063 CG2 :: 22.509 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 :: 8.02 HA :: 4.744 HB :: 2.171 HG1 :: 0.936 HG2 :: 0.895 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 :: 122.809 Ave N Shift Values>> N :: 121.02(4.96) V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.4 C Shift Assignments>> C :: 175.27 CA :: 60.95 CB :: 34.547 CG1 :: 21.421 CG2 :: 21.047 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 :: 9.191 HA :: 4.401 HB :: 2.04 HG1 :: 0.94 HG2 :: 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 :: 128.516 Ave N Shift Values>> N :: 121.02(4.96) V11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.27 HN Overlap>> V146 C Shift Assignments>> C :: 175.411 CA :: 62.341 CB :: 31.313 CG1 :: 22.69 CG2 :: 21.091 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 :: 8.789 HA :: 3.911 HB :: 1.874 HG1 :: 0.628 HG2 :: 0.636 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 :: 128.518 Ave N Shift Values>> N :: 121.02(4.96) L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.23 A 0.09 R 0.08 G 0.03 C Shift Assignments>> C :: 175.135 CA :: 53.605 CB :: 42.46 CG :: 26.992 CD1 :: 22.73 CD2 :: 25.62 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 :: 7.812 HA :: 4.409 HB2 :: 1.248 HB3 :: 1.438 HG :: 1.424 HD1 :: 0.719 HD2 :: 0.749 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 :: 129.144 Ave N Shift Values>> N :: 121.98(4.07) D13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 N 0.25 C 0.15 Y 0.11 F 0.1 L 0.08 K 0.01 C Shift Assignments>> C :: 173.195 CA :: 54.275 CB :: 39.595 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 :: 8.214 HA :: 4.117 HB2 :: 2.108 HB3 :: 2.856 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 :: 116.767 Ave N Shift Values>> N :: 120.73(4.2) N14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 L 0.13 C 0.13 D 0.11 R 0.06 N 0.02 K 0.01 F 0.01 C Shift Assignments>> C :: 173.443 CA :: 50.3 CB :: 43.357 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 :: 7.707 HA :: 4.861 HB2 :: 2.235 HB3 :: 2.54 HD21 :: 8.251 HD22 :: 8.117 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 :: 116.081 ND2 :: 118.43 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) P15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.85 P 0.13 A 0.01 C Shift Assignments>> C :: 175.512 CA :: 63.55 CB :: 35.801 CG :: 24.791 CD :: 50.231 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 :: 5.266 HB2 :: 1.857 HB3 :: 2.374 HG2 :: 1.697 HG3 :: 1.821 HD2 :: 3.479 HD3 :: 3.574 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) S16 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 :: 170.99 CA :: 57.051 CB :: 65.441 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.815 HA :: 4.986 HB2 :: 3.857 HB3 :: 3.863 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 :: 113.755 Ave N Shift Values>> N :: 116.3(3.95) P17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 176.772 CA :: 63.758 CB :: 32.072 CD :: 50.498 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 :: 4.612 HB2 :: 1.655 HB3 :: 2.608 HG2 :: 2.042 HG3 :: 2.065 HD2 :: 3.525 HD3 :: 3.843 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) F18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.45 F 0.34 C 0.2 C Shift Assignments>> C :: 174.46 CA :: 61.662 CB :: 40.225 CD1 :: 132.834 CE1 :: 131.471 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 :: 8.231 HA :: 3.637 HB2 :: 2.837 HB3 :: 2.946 HD1 :: 6.644 HE1 :: 6.91 HZ :: 7.002 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 :: 124.792 Ave N Shift Values>> N :: 120.69(4.18) Y19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.51 C 0.47 C Shift Assignments>> C :: 176.589 CA :: 57.887 CB :: 37.659 CD1 :: 133.22 CE1 :: 118.183 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 :: 7.712 HA :: 4.247 HB2 :: 2.878 HB3 :: 3.309 HD1 :: 7.323 HE1 :: 6.752 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 :: 108.859 Ave N Shift Values>> N :: 120.79(4.69) N20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 C 0.24 D 0.05 Y 0.04 M 0.02 E 0.02 F 0.02 C Shift Assignments>> C :: 172.729 CA :: 51.66 CB :: 37.242 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 :: 7.657 HA :: 4.717 HB2 :: 2.696 HB3 :: 2.689 HD21 :: 8.219 HD22 :: 7.003 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 :: 124.195 ND2 :: 113.745 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) P21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 178.927 CA :: 63.096 CB :: 32.407 CG :: 27.219 CD :: 50.293 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 :: 4.588 HB2 :: 1.588 HB3 :: 2.281 HG2 :: 1.871 HG3 :: 2.032 HD2 :: 3.537 HD3 :: 3.777 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) F22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.39 Y 0.36 C 0.23 C Shift Assignments>> C :: 176.174 CA :: 58.971 CB :: 41.123 CD1 :: 132.156 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 :: 9.107 HA :: 3.945 HB2 :: 2.596 HB3 :: 2.677 HD1 :: 7.013 HE1 :: 7.108 HZ :: 7.261 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 :: 122.267 Ave N Shift Values>> N :: 120.69(4.18) Q23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 M 0.27 E 0.05 Q 0.03 C Shift Assignments>> C :: 173.149 CA :: 55.508 CB :: 34.375 CG :: 34.653 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 :: 8.814 HA :: 4.718 HB2 :: 1.636 HB3 :: 1.683 HG2 :: 1.879 HG3 :: 2.004 HE21 :: 7.546 HE22 :: 6.798 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 :: 119.306 NE2 :: 111.397 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) F24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.37 Y 0.33 C 0.24 G 0.03 C Shift Assignments>> C :: 174.273 CA :: 54.884 CB :: 42.61 CD1 :: 132.431 CE1 :: 131.014 CZ :: 128.693 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 :: 8.408 HA :: 5.34 HB2 :: 2.679 HB3 :: 2.729 HD1 :: 6.892 HE1 :: 6.75 HZ :: 6.869 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 :: 120.348 Ave N Shift Values>> N :: 120.69(4.18) E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 E 0.3 M 0.18 I 0.01 C Shift Assignments>> C :: 175.763 CA :: 55.225 CB :: 31.805 CG :: 37.07 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 :: 9.528 HA :: 4.731 HB2 :: 1.837 HB3 :: 2.111 HG2 :: 1.802 HG3 :: 2.021 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 :: 124.441 Ave N Shift Values>> N :: 120.68(3.68) I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.26 C Shift Assignments>> C :: 174.401 CA :: 61.581 CB :: 39.585 CG1 :: 28.197 CG2 :: 18.015 CD1 :: 14.579 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 :: 9.208 HA :: 4.575 HB :: 1.082 HG2 :: 0.697 HG12 :: 0.789 HG13 :: 1.292 HD1 :: 0.428 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 :: 132.619 Ave N Shift Values>> N :: 121.6(4.72) T27 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.91 C 0.07 C Shift Assignments>> C :: 174.46 CA :: 61.068 CB :: 69.739 CG2 :: 20.862 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 :: 8.818 HA :: 5.508 HB :: 4.03 HG2 :: 0.0(S) 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 :: 122.402 Ave N Shift Values>> N :: 115.7(5.05) F28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 Y 0.31 F 0.23 G 0.06 C Shift Assignments>> C :: 170.796 CA :: 55.225 CB :: 42.647 CD1 :: 132.978 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 :: 9.671 HA :: 5.627 HB2 :: 3.077 HB3 :: 3.426 HD1 :: 7.194 HE1 :: 6.915 HZ :: 7.052 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 :: 124.876 Ave N Shift Values>> N :: 120.69(4.18) E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 M 0.27 E 0.11 Q 0.01 C Shift Assignments>> C :: 175.365 CA :: 54.006 CB :: 33.463 CG :: 36.138 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 :: 9.491 HA :: 5.296 HB2 :: 1.946 HB3 :: 1.958 HG2 :: 2.01 HG3 :: 2.107 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 :: 120.115 Ave N Shift Values>> N :: 120.68(3.68) C30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 K 0.15 H 0.15 C 0.11 W 0.11 E 0.1 R 0.09 L 0.04 M 0.03 I 0.01 C Shift Assignments>> C :: 176.209 CA :: 55.7 CB :: 28.872 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.191 HA :: 5.568 HB2 :: 2.879 HB3 :: 3.239 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 123.763 Ave N Shift Values>> N :: 119.95(4.79) I31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.76 C 0.23 HN Overlap>> H70 N114 N138 C Shift Assignments>> C :: 174.676 CA :: 62.293 CB :: 38.198 CG1 :: 27.359 CG2 :: 17.927 CD1 :: 12.939 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 :: 8.864 HA :: 4.165 HB :: 1.94 HG2 :: 0.859 HG12 :: 1.19 HG13 :: 1.304 HD1 :: 0.702 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 :: 124.799 Ave N Shift Values>> N :: 121.6(4.72) E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 M 0.22 E 0.08 C Shift Assignments>> C :: 172.703 CA :: 54.199 CB :: 34.024 CG :: 36.067 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 :: 7.422 HA :: 4.491 HB2 :: 1.751 HB3 :: 1.978 HG2 :: 2.123 HG3 :: 2.119 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 :: 118.231 Ave N Shift Values>> N :: 120.68(3.68) D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.16 C 0.12 F 0.11 K 0.1 Y 0.1 N 0.09 R 0.01 C Shift Assignments>> C :: 176.345 CA :: 54.948 CB :: 40.748 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 :: 8.329 HA :: 4.532 HB2 :: 2.578 HB3 :: 2.74 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 :: 119.261 Ave N Shift Values>> N :: 120.73(4.2) L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.2 A 0.06 R 0.05 G 0.05 C Shift Assignments>> C :: 178.087 CA :: 53.787 CB :: 42.829 CG :: 26.347 CD1 :: 25.978 CD2 :: 22.867 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 :: 8.632 HA :: 4.732 HB2 :: 1.976 HB3 :: 2.05 HG :: 2.007 HD1 :: 0.799 HD2 :: 0.714 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 :: 123.135 Ave N Shift Values>> N :: 121.98(4.07) S35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.373 CA :: 58.776 CB :: 63.418 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.515 HA :: 4.532 HB2 :: 3.977 HB3 :: 3.95 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 :: 117.211 Ave N Shift Values>> N :: 116.3(3.95) E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.31 M 0.22 Q 0.02 K 0.02 I 0.01 C Shift Assignments>> C :: 174.278 CA :: 54.721 CB :: 31.445 CG :: 36.346 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 :: 7.684 HA :: 4.616 HB2 :: 1.758 HB3 :: 2.164 HG2 :: 2.118 HG3 :: 2.191 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 :: 120.624 Ave N Shift Values>> N :: 120.68(3.68) D37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 R 0.17 D 0.16 K 0.13 C 0.1 F 0.05 Y 0.04 N 0.02 G 0.01 C Shift Assignments>> C :: 176.718 CA :: 54.533 CB :: 42.628 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 :: 7.957 HA :: 4.805 HB2 :: 2.321 HB3 :: 2.392 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 :: 117.025 Ave N Shift Values>> N :: 120.73(4.2) L38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.48 L 0.3 C 0.15 A 0.03 R 0.02 C Shift Assignments>> C :: 175.545 CA :: 53.284 CB :: 44.972 CG :: 26.836 CD1 :: 26.465 CD2 :: 23.391 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 :: 8.638 HA :: 4.942 HB2 :: 0.882 HB3 :: 1.69 HG :: 0.737 HD1 :: 1.812(S) HD2 :: 1.011 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 :: 118.352 Ave N Shift Values>> N :: 121.98(4.07) E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.26 M 0.25 Q 0.01 K 0.01 C Shift Assignments>> C :: 175.13 CA :: 54.512 CB :: 31.98 CG :: 36.42 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 :: 8.255 HA :: 5.17 HB2 :: 1.571 HB3 :: 2.012 HG2 :: 1.757 HG3 :: 1.996 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 :: 122.235 Ave N Shift Values>> N :: 120.68(3.68) W40 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.55 C 0.4 H 0.03 C Shift Assignments>> C :: 175.615 CA :: 55.141 CB :: 30.626 CD1 :: 126.704 CE3 :: 121.022 CZ2 :: 114.431 CZ3 :: 121.097 CH2 :: 124.691 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 :: 9.464 HA :: 5.527 HB2 :: 2.814 HB3 :: 3.205 HD1 :: 6.685 HE1 :: 7.203(S) HE3 :: 7.449 HZ2 :: 6.064 HZ3 :: 6.625 HH2 :: 6.75 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 :: 131.974 NE1 :: 122.679 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 R 0.29 K 0.14 HN Overlap>> Y111 C Shift Assignments>> C :: 175.249 CA :: 55.651 CB :: 37.552 CG :: 25.427 CD :: 29.691 CE :: 41.524 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 :: 8.979 HA :: 5.6 HB2 :: 1.699 HB3 :: 1.865 HG2 :: 1.431 HG3 :: 1.502 HD2 :: 1.429 HD3 :: 1.541 HE2 :: 2.785 HE3 :: 2.785 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 :: 120.368 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.4 C Shift Assignments>> C :: 175.102 CA :: 59.588 CB :: 40.348 CG1 :: 28.705 CG2 :: 18.393 CD1 :: 13.201 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 :: 7.482 HA :: 5.211 HB :: 1.031 HG2 :: 0.448 HG12 :: 0.435 HG13 :: 1.029 HD1 :: -0.106 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 :: 119.337 Ave N Shift Values>> N :: 121.6(4.72) I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.46 G 0.01 C Shift Assignments>> C :: 173.506 CA :: 59.67 CB :: 41.992 CG1 :: 28.304 CG2 :: 17.173 CD1 :: 14.54 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 :: 9.4 HA :: 4.823 HB :: 1.595 HG2 :: 0.692 HG12 :: 0.98 HG13 :: 1.425 HD1 :: 0.734 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 :: 128.24 Ave N Shift Values>> N :: 121.6(4.72) Y44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.39 G 0.02 HN Overlap>> R137 C Shift Assignments>> C :: 174.037 CA :: 57.705 CB :: 42.221 CD1 :: 132.717 CE1 :: 118.506 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 :: 9.6 HA :: 4.743 HB2 :: 2.653 HB3 :: 3.011 HD1 :: 6.863 HE1 :: 6.841 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 :: 128.226 Ave N Shift Values>> N :: 120.79(4.69) V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 C Shift Assignments>> C :: 175.189 CA :: 62.059 CB :: 31.331 CG1 :: 20.611 CG2 :: 20.648 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 :: 8.035 HA :: 4.084 HB :: 2.059 HG1 :: 0.829 HG2 :: 0.702 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 :: 130.737 Ave N Shift Values>> N :: 121.02(4.96) G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 C 0.16 L 0.04 C Shift Assignments>> C :: 173.158 CA :: 46.835 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.526 HA2 :: 4.04 HA3 :: 4.212 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.513 Ave N Shift Values>> N :: 109.91(4.29) S47 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 :: 174.429 CA :: 56.772 CB :: 65.478 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.409 HA :: 4.586 HB2 :: 3.581 HB3 :: 3.712 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 :: 111.088 Ave N Shift Values>> N :: 116.3(3.95) A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.31 C 0.02 C Shift Assignments>> C :: 178.459 CA :: 53.557 CB :: 18.802 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.746 HA :: 4.172 HB :: 1.492 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.396 Ave N Shift Values>> N :: 123.23(3.7) E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 M 0.12 K 0.06 I 0.05 Q 0.04 C Shift Assignments>> C :: 176.685 CA :: 57.172 CB :: 30.626 CG :: 36.28 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 :: 8.268 HA :: 4.207 HB2 :: 1.964 HB3 :: 2.149 HG2 :: 2.256 HG3 :: 2.29 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 :: 115.417 Ave N Shift Values>> N :: 120.68(3.68) S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.002 CA :: 57.019 CB :: 64.262 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.328 HA :: 4.694 HB2 :: 3.744 HB3 :: 4.101 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 :: 110.645 Ave N Shift Values>> N :: 116.3(3.95) E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.32 C 0.31 K 0.14 Q 0.09 M 0.05 I 0.05 C Shift Assignments>> C :: 177.379 CA :: 56.833 CB :: 29.445 CG :: 35.828 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 :: 8.972 HA :: 4.453 HB2 :: 2.054 HB3 :: 2.126 HG2 :: 2.294 HG3 :: 2.316 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 :: 124.98 Ave N Shift Values>> N :: 120.68(3.68) E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 K 0.12 I 0.1 Q 0.06 M 0.03 HN Overlap>> M71 F106 C Shift Assignments>> C :: 176.322 CA :: 57.891 CB :: 29.257 CG :: 36.09 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 :: 8.455 HA :: 4.004 HB2 :: 1.611 HB3 :: 1.619 HG2 :: 1.877 HG3 :: 1.875 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 :: 120.519 Ave N Shift Values>> N :: 120.68(3.68) Y53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 Y 0.47 HN Overlap>> N125 C Shift Assignments>> C :: 175.992 CA :: 56.844 CB :: 37.525 CD1 :: 133.752 CE1 :: 118.46 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 :: 7.262 HA :: 4.784 HB2 :: 3.003 HB3 :: 3.471 HD1 :: 7.229 HE1 :: 6.826 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 :: 115.807 Ave N Shift Values>> N :: 120.79(4.69) D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 N 0.19 C 0.15 Y 0.13 F 0.12 L 0.09 K 0.01 I 0.01 C Shift Assignments>> C :: 177.183 CA :: 54.762 CB :: 39.662 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 :: 7.656 HA :: 5.086 HB2 :: 2.263 HB3 :: 2.734 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 :: 123.908 Ave N Shift Values>> N :: 120.73(4.2) Q55 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.4 C 0.31 Q 0.17 E 0.06 K 0.04 C Shift Assignments>> C :: 174.809 CA :: 54.413 CB :: 31.941 CG :: 33.63 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 :: 9.438 HA :: 4.798 HB2 :: 1.969 HB3 :: 2.169 HG2 :: 2.392 HG3 :: 2.637 HE21 :: 9.001(S) HE22 :: 6.827 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 :: 121.339 NE2 :: 114.525 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 C 0.23 C Shift Assignments>> C :: 176.677 CA :: 62.703 CB :: 30.61 CG1 :: 21.058 CG2 :: 21.261 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 :: 9.085 HA :: 4.253 HB :: 2.135 HG1 :: 0.978 HG2 :: 0.838 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 :: 126.456 Ave N Shift Values>> N :: 121.02(4.96) L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 L 0.44 A 0.05 R 0.03 C Shift Assignments>> C :: 177.94 CA :: 56.691 CB :: 40.719 CG :: 26.822 CD1 :: 26.31 CD2 :: 21.673 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 :: 9.159 HA :: 4.244 HB2 :: 1.415 HB3 :: 1.814 HG :: 1.627 HD1 :: 0.811 HD2 :: 0.658 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 :: 130.541 Ave N Shift Values>> N :: 121.98(4.07) D58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.31 L 0.28 R 0.16 C 0.12 D 0.06 F 0.01 Y 0.01 K 0.01 C Shift Assignments>> C :: 174.24 CA :: 53.879 CB :: 44.293 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 :: 7.525 HA :: 4.839 HB2 :: 2.609 HB3 :: 3.084 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 :: 111.652 Ave N Shift Values>> N :: 120.73(4.2) S59 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 :: 173.26 CA :: 56.475 CB :: 65.412 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.989 HA :: 5.85 HB2 :: 3.749 HB3 :: 3.747 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 :: 113.556 Ave N Shift Values>> N :: 116.3(3.95) V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 V 0.42 C Shift Assignments>> C :: 173.288 CA :: 60.439 CB :: 35.772 CG1 :: 20.981 CG2 :: 20.534 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 :: 9.28 HA :: 4.562 HB :: 1.749 HG1 :: 0.717 HG2 :: 0.608 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) L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.2 R 0.06 G 0.05 A 0.02 C Shift Assignments>> C :: 177.314 CA :: 53.248 CB :: 42.85 CG :: 27.334 CD1 :: 24.976 CD2 :: 23.702 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 :: 8.344 HA :: 5.344 HB2 :: 1.388 HB3 :: 1.661 HG :: 1.628 HD1 :: 0.866 HD2 :: 0.815 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 :: 126.985 Ave N Shift Values>> N :: 121.98(4.07) V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 C 0.47 HN Overlap>> F72 C Shift Assignments>> C :: 173.877 CA :: 60.754 CB :: 35.11 CG1 :: 20.577 CG2 :: 20.812 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 :: 9.164 HA :: 4.272 HB :: 1.738 HG1 :: 0.747 HG2 :: 0.389 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 :: 123.989 Ave N Shift Values>> N :: 121.02(4.96) G63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.13 C 0.09 R 0.07 F 0.01 C Shift Assignments>> CA :: 44.959 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.108 HA2 :: 4.658 HA3 :: 3.654 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.504 Ave N Shift Values>> N :: 109.91(4.29) P64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.66 P 0.32 C Shift Assignments>> C :: 176.662 CA :: 62.365 CB :: 34.584 CG :: 25.164 CD :: 50.086 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 :: 4.586 HB2 :: 2.083 HB3 :: 2.448 HG2 :: 1.885 HG3 :: 1.889 HD2 :: 3.61 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) V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 V 0.4 C Shift Assignments>> CA :: 58.981 CB :: 33.194 CG1 :: 21.341 CG2 :: 23.25 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 :: 8.706 HA :: 4.524 HB :: 2.202 HG1 :: 0.994 HG2 :: 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 :: 121.788 Ave N Shift Values>> N :: 121.02(4.96) P66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.55 C 0.44 C Shift Assignments>> CA :: 61.153 CB :: 32.914 CG :: 26.906 CD :: 50.5 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 :: 4.735 HB2 :: 2.063 HB3 :: 2.324 HG3 :: 2.033 HD2 :: 3.625 HD3 :: 3.706 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) A67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.25 C 0.01 C Shift Assignments>> C :: 177.38 CA :: 52.714 CB :: 18.193 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.999 HA :: 3.91 HB :: 1.184 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.636 Ave N Shift Values>> N :: 123.23(3.7) G68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.27 G 0.09 C 0.08 D 0.04 F 0.04 K 0.04 Y 0.02 C Shift Assignments>> C :: 171.277 CA :: 43.491 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.869 HA2 :: 4.325 HA3 :: 3.715 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.618 Ave N Shift Values>> N :: 109.91(4.29) R69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.33 K 0.16 G 0.07 C Shift Assignments>> C :: 174.717 CA :: 55.172 CB :: 31.483 CG :: 27.606 CD :: 43.32 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 :: 8.078 HA :: 4.641 HB2 :: 1.573 HB3 :: 1.563 HG2 :: 1.337 HG3 :: 1.418 HD2 :: 3.044 HD3 :: 3.036 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 :: 120.464 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) H70 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.67 Y 0.21 H 0.06 W 0.04 HN Overlap>> I31 N114 C Shift Assignments>> C :: 172.832 CA :: 55.137 CB :: 35.388 CD2 :: 118.74 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 :: 8.942 HA :: 4.63 HB2 :: 1.132(S) HB3 :: 2.45 HD2 :: 6.356 HE2 :: 7.206 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 :: 124.811 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) M71 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.35 A 0.32 M 0.31 I 0.01 HN Overlap>> E52 F106 C Shift Assignments>> C :: 175.525 CA :: 54.002 CB :: 36.367 CG :: 31.731 CE :: 16.936 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 :: 8.445 HA :: 5.859 HB2 :: 1.943 HG2 :: 2.402 HG3 :: 2.402 HE :: 0.0(S) 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 :: 120.521 Ave N Shift Values>> N :: 120.1(3.88) F72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.43 Y 0.31 C 0.24 HN Overlap>> V62 C Shift Assignments>> C :: 171.758 CA :: 56.003 CB :: 41.461 CD1 :: 131.827 CE1 :: 130.148 CZ :: 128.756 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 :: 9.177 HA :: 4.948 HB2 :: 3.029 HB3 :: 3.192 HD1 :: 6.901 HE1 :: 6.17 HZ :: 5.121 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 :: 123.999 Ave N Shift Values>> N :: 120.69(4.18) V73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 HN Overlap>> D77 C Shift Assignments>> C :: 174.48 CA :: 61.023 CB :: 32.301 CG1 :: 21.422 CG2 :: 20.92 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 :: 8.539 HA :: 4.578 HB :: 1.948 HG1 :: 0.891 HG2 :: 0.737 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 :: 121.455 Ave N Shift Values>> N :: 121.02(4.96) F74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 Y 0.39 F 0.2 C Shift Assignments>> C :: 173.441 CA :: 52.485 CB :: 39.545 CD1 :: 129.367 CE1 :: 132.294 CZ :: 128.93 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 :: 9.286 HA :: 5.099 HB2 :: 2.538 HB3 :: 3.291 HD1 :: 7.081 HE1 :: 7.253 HZ :: 7.035 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 :: 132.009 Ave N Shift Values>> N :: 120.69(4.18) Q75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 C 0.33 Q 0.14 E 0.07 K 0.03 C Shift Assignments>> C :: 174.064 CA :: 52.987 CB :: 31.708 CG :: 34.278 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 :: 8.807 HA :: 5.597 HB2 :: 1.972 HB3 :: 1.984 HG2 :: 2.26 HG3 :: 2.258 HE21 :: 7.538 HE22 :: 6.718 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 :: 127.278 NE2 :: 111.704 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.45 L 0.22 C 0.17 K 0.06 R 0.02 M 0.01 A 0.01 HN Overlap>> R148 C Shift Assignments>> C :: 174.822 CA :: 50.28 CB :: 24.642 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.386 HA :: 4.822 HB :: 1.117 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.525 Ave N Shift Values>> N :: 123.23(3.7) D77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.19 K 0.13 C 0.11 F 0.09 Y 0.07 N 0.07 R 0.03 HN Overlap>> V73 C Shift Assignments>> C :: 173.494 CA :: 54.681 CB :: 41.186 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 :: 8.574 HA :: 4.375 HB2 :: 2.655 HB3 :: 2.79 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 :: 121.353 Ave N Shift Values>> N :: 120.73(4.2) A78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.16 C 0.01 C Shift Assignments>> C :: 174.469 CA :: 50.769 CB :: 17.231 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.983 HA :: 3.992 HB :: 1.064 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.674 Ave N Shift Values>> N :: 123.23(3.7) P79 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.57 C 0.42 C Shift Assignments>> C :: 174.367 CA :: 61.506 CB :: 32.895 CG :: 26.106 CD :: 50.326 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 :: 4.003 HB2 :: 1.385 HB3 :: 1.531 HG2 :: 0.422(S) HG3 :: 0.97 HD2 :: 3.098 HD3 :: 3.089 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) N80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 C 0.19 D 0.16 Y 0.02 F 0.02 L 0.02 C Shift Assignments>> C :: 176.468 CA :: 50.073 CB :: 39.02 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 :: 8.874 HA :: 4.856 HB2 :: 2.94 HB3 :: 2.934 HD21 :: 7.912 HD22 :: 7.058 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 :: 118.923 ND2 :: 111.859 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) P81 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.81 C 0.17 C Shift Assignments>> C :: 178.056 CA :: 64.271 CB :: 30.712 CG :: 26.826 CD :: 51.239 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 :: 3.728 HB2 :: 0.686(S) HB3 :: 1.087 HG2 :: 1.621 HG3 :: 1.867 HD2 :: 3.936 HD3 :: 4.318 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) G82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 174.595 CA :: 45.788 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.206 HA2 :: 3.974 HA3 :: 3.722 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.674 Ave N Shift Values>> N :: 109.91(4.29) L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.2 A 0.12 R 0.07 G 0.04 C Shift Assignments>> C :: 176.676 CA :: 53.534 CB :: 42.788 CG :: 27.226 CD1 :: 25.313 CD2 :: 22.267 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 :: 7.126 HA :: 4.65 HB2 :: 1.653 HB3 :: 2.027 HG :: 1.474 HD1 :: 0.959 HD2 :: 0.908 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 :: 118.17 Ave N Shift Values>> N :: 121.98(4.07) I84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.45 C Shift Assignments>> C :: 173.877 CA :: 58.675 CB :: 39.927 CG1 :: 27.45 CG2 :: 15.974 CD1 :: 14.223 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 :: 7.349 HA :: 4.469 HB :: 2.013 HG2 :: 1.14 HG12 :: 1.189 HG13 :: 1.73 HD1 :: 1.023 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 :: 123.51 Ave N Shift Values>> N :: 121.6(4.72) P85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.98 C 0.01 C Shift Assignments>> C :: 177.812 CA :: 63.011 CD :: 50.873 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 :: 4.286 HB2 :: 1.985 HB3 :: 2.086 HG2 :: 1.99 HG3 :: 2.048 HD2 :: 3.458 HD3 :: 3.688 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) D86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.22 C 0.17 L 0.08 K 0.07 D 0.07 I 0.07 N 0.01 R 0.01 HN Overlap>> T100 C Shift Assignments>> C :: 178.482 CA :: 57.809 CB :: 40.318 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 :: 8.468 HA :: 4.264 HB2 :: 2.613 HB3 :: 2.782 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 :: 124.073 Ave N Shift Values>> N :: 120.73(4.2) A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.37 C 0.02 I 0.01 C Shift Assignments>> C :: 178.329 CA :: 53.972 CB :: 18.663 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.588 HA :: 4.14 HB :: 1.398 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.866 Ave N Shift Values>> N :: 123.23(3.7) D88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.24 D 0.11 C 0.11 G 0.06 K 0.06 F 0.04 Y 0.02 N 0.01 C Shift Assignments>> C :: 176.72 CA :: 54.533 CB :: 43.354 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 :: 7.55 HA :: 4.852 HB2 :: 2.481 HB3 :: 3.078 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 :: 114.791 Ave N Shift Values>> N :: 120.73(4.2) A89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.43 A 0.33 L 0.08 C 0.07 V 0.03 T 0.02 C Shift Assignments>> C :: 176.373 CA :: 55.144 CB :: 20.386 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.276 HA :: 3.965 HB :: 1.244 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.633 Ave N Shift Values>> N :: 123.23(3.7) V90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 C Shift Assignments>> C :: 175.659 CA :: 61.247 CB :: 31.932 CG1 :: 21.617 CG2 :: 21.069 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 :: 7.531 HA :: 3.909 HB :: 1.983 HG1 :: 0.859 HG2 :: 0.627 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 :: 113.462 Ave N Shift Values>> N :: 121.02(4.96) G91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.31 L 0.24 R 0.24 C 0.1 F 0.02 D 0.02 Y 0.01 K 0.01 C Shift Assignments>> C :: 173.203 CA :: 44.193 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.33 HA2 :: 4.524 HA3 :: 3.991 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.802 Ave N Shift Values>> N :: 109.91(4.29) V92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 C Shift Assignments>> C :: 177.111 CA :: 61.397 CB :: 33.181 CG1 :: 21.785 CG2 :: 21.896 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 :: 8.504 HA :: 5.368 HB :: 1.963 HG1 :: 0.989 HG2 :: 0.991 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 :: 123.67 Ave N Shift Values>> N :: 121.02(4.96) T93 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.72 C 0.21 A 0.06 C Shift Assignments>> C :: 172.059 CA :: 58.498 CB :: 70.37 CG2 :: 19.855 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 :: 9.347 HA :: 4.783 HB :: 4.304 HG2 :: 0.0(S) 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 :: 123.488 Ave N Shift Values>> N :: 115.7(5.05) V94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 V 0.23 C Shift Assignments>> C :: 173.216 CA :: 59.953 CB :: 36.888 CG1 :: 22.043 CG2 :: 21.595 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 :: 8.108 HA :: 5.215 HB :: 1.577 HG1 :: 0.723 HG2 :: 0.611 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 :: 121.0 Ave N Shift Values>> N :: 121.02(4.96) V95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 V 0.27 A 0.01 C Shift Assignments>> C :: 171.924 CA :: 58.716 CB :: 35.522 CG1 :: 20.254 CG2 :: 21.865 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 :: 8.757 HA :: 5.018 HB :: 1.774 HG1 :: 0.0 HG2 :: 0.578 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 :: 122.89 Ave N Shift Values>> N :: 121.02(4.96) L96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 L 0.24 C 0.23 C Shift Assignments>> C :: 175.935 CA :: 52.792 CB :: 46.343 CG :: 26.615 CD1 :: 24.772 CD2 :: 25.526 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 :: 9.232 HA :: 5.436 HB2 :: 1.028 HB3 :: 1.632 HG :: 1.414 HD1 :: 0.601 HD2 :: 0.624 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 :: 126.06 Ave N Shift Values>> N :: 121.98(4.07) I97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.41 C Shift Assignments>> C :: 176.402 CA :: 59.724 CB :: 41.297 CG1 :: 28.145 CG2 :: 18.041 CD1 :: 14.518 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 :: 9.19 HA :: 5.172 HB :: 1.615 HG2 :: 1.059 HG12 :: 0.422 HG13 :: 1.157 HD1 :: 0.037 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 :: 121.279 Ave N Shift Values>> N :: 121.6(4.72) T98 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.64 C 0.31 A 0.04 C Shift Assignments>> C :: 173.127 CA :: 58.015 CB :: 71.328 CG2 :: 21.468 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 :: 9.302 HA :: 5.393 HB :: 4.156 HG2 :: 0.0(S) 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 :: 116.896 Ave N Shift Values>> N :: 115.7(5.05) C99 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.14 W 0.13 Q 0.13 E 0.13 H 0.12 C 0.11 R 0.09 I 0.05 M 0.02 L 0.01 C Shift Assignments>> C :: 171.878 CA :: 57.823 CB :: 29.05 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.641 HA :: 4.778 HB2 :: 1.005(S) HB3 :: 1.01(S) Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 119.483 Ave N Shift Values>> N :: 119.95(4.79) T100 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.86 C 0.13 HN Overlap>> D86 C Shift Assignments>> C :: 172.354 CA :: 60.448 CB :: 71.395 CG2 :: 20.51 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 :: 8.427 HA :: 5.004 HB :: 3.751 HG2 :: 0.0(S) 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 :: 124.007 Ave N Shift Values>> N :: 115.7(5.05) Y101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.43 C Shift Assignments>> C :: 175.114 CA :: 56.501 CB :: 41.268 CD1 :: 133.624 CE1 :: 118.66 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 :: 8.526 HA :: 4.98 HB2 :: 2.173 HB3 :: 2.626 HD1 :: 6.778 HE1 :: 6.858 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 :: 123.279 Ave N Shift Values>> N :: 120.79(4.69) R102 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.29 C 0.28 R 0.23 G 0.11 K 0.07 C Shift Assignments>> C :: 176.776 CA :: 56.643 CB :: 27.554 CG :: 26.844 CD :: 43.644 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 :: 9.267 HA :: 3.565 HB2 :: 1.234 HB3 :: 1.726 HG2 :: 0.265(S) HG3 :: 1.013 HD2 :: 2.856 HD3 :: 2.883 HE :: 6.986 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 :: 128.675 NE :: 124.888 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) G103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.11 C 0.08 R 0.05 C Shift Assignments>> C :: 173.893 CA :: 45.099 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.656 HA2 :: 4.003 HA3 :: 3.5 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.953 Ave N Shift Values>> N :: 109.91(4.29) Q104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 C 0.33 Q 0.13 E 0.04 K 0.02 HN Overlap>> K129 C Shift Assignments>> C :: 174.427 CA :: 53.71 CB :: 32.223 CG :: 33.611 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 :: 7.618 HA :: 4.511 HB2 :: 1.878 HB3 :: 2.148 HG2 :: 2.302 HG3 :: 2.303 HE21 :: 7.362 HE22 :: 6.86 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 :: 119.958 NE2 :: 110.131 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.38 M 0.11 I 0.05 K 0.02 C Shift Assignments>> C :: 175.532 CA :: 56.713 CB :: 31.069 CG :: 37.168 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 :: 8.709 HA :: 4.431 HB2 :: 1.598 HB3 :: 1.724 HG2 :: 1.735 HG3 :: 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 :: 129.553 Ave N Shift Values>> N :: 120.68(3.68) F106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.43 C 0.31 F 0.25 HN Overlap>> E52 M71 C Shift Assignments>> C :: 175.412 CA :: 55.982 CB :: 40.59 CD1 :: 133.465 CE1 :: 131.423 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 :: 8.427 HA :: 5.547 HB2 :: 2.677 HB3 :: 3.744 HD1 :: 7.304 HE1 :: 6.995 HZ :: 6.887 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 :: 120.484 Ave N Shift Values>> N :: 120.69(4.18) I107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.43 C Shift Assignments>> C :: 170.181 CA :: 59.814 CB :: 40.843 CG1 :: 29.148 CG2 :: 16.567 CD1 :: 14.477 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 :: 7.292 HA :: 5.159 HB :: 1.806 HG2 :: 0.21 HG12 :: 0.971 HG13 :: 1.493 HD1 :: 0.88 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 :: 123.631 Ave N Shift Values>> N :: 121.6(4.72) R108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 R 0.2 G 0.15 K 0.13 C Shift Assignments>> C :: 174.118 CA :: 54.585 CB :: 34.106 CG :: 27.186 CD :: 43.588 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 :: 8.512 HA :: 4.995 HB2 :: 1.715 HB3 :: 2.079 HG2 :: 1.348 HG3 :: 1.502 HD2 :: 3.034 HD3 :: 3.162 HE :: 8.718 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 :: 124.989 NE :: 123.851 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) V109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 C Shift Assignments>> C :: 174.302 CA :: 60.632 CB :: 33.587 CG1 :: 20.369 CG2 :: 21.058 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 :: 9.629 HA :: 4.519 HB :: 2.063 HG1 :: 0.855 HG2 :: 0.597 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 :: 127.8 Ave N Shift Values>> N :: 121.02(4.96) G110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.27 G 0.26 L 0.25 C 0.1 D 0.03 F 0.03 Y 0.01 K 0.01 C Shift Assignments>> C :: 172.115 CA :: 44.062 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.075 HA2 :: 5.235 HA3 :: 3.119 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.523 Ave N Shift Values>> N :: 109.91(4.29) Y111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.4 G 0.03 HN Overlap>> K41 C Shift Assignments>> C :: 176.271 CA :: 56.612 CB :: 42.342 CD1 :: 132.953 CE1 :: 118.049 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 :: 9.009 HA :: 4.825 HB2 :: 2.521 HB3 :: 2.909 HD1 :: 6.874 HE1 :: 6.495 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 :: 120.426 Ave N Shift Values>> N :: 120.79(4.69) Y112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.42 C Shift Assignments>> C :: 175.36 CA :: 58.646 CB :: 39.336 CD1 :: 133.675 CE1 :: 118.266 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 :: 9.337 HA :: 5.209 HB2 :: 3.002 HB3 :: 3.002 HD1 :: 7.265 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 :: 120.561 Ave N Shift Values>> N :: 120.79(4.69) V113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.2 L 0.09 C Shift Assignments>> C :: 173.631 CA :: 60.75 CG1 :: 22.895 CG2 :: 22.953 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 :: 9.265 HA :: 4.567 HB :: 2.057 HG1 :: 0.0 HG2 :: 0.995 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 :: 122.105 Ave N Shift Values>> N :: 121.02(4.96) N114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.29 C 0.12 L 0.11 F 0.04 Y 0.03 K 0.03 HN Overlap>> I31 H70 N138 C Shift Assignments>> C :: 174.363 CA :: 51.667 CB :: 40.712 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 :: 8.965 HA :: 5.289 HB2 :: 2.634 HB3 :: 2.908 HD21 :: 7.388 HD22 :: 6.694 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 :: 124.751 ND2 :: 110.403 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) N115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.18 L 0.16 C 0.11 K 0.07 F 0.05 Y 0.04 R 0.02 C Shift Assignments>> C :: 174.059 CA :: 52.444 CB :: 41.214 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 :: 8.687 HA :: 5.859 HB2 :: 2.293 HB3 :: 3.178 HD21 :: 7.916 HD22 :: 5.975 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 :: 125.813 ND2 :: 112.014 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 M 0.3 E 0.05 Q 0.02 C Shift Assignments>> C :: 175.153 CA :: 53.656 CB :: 34.062 CG :: 35.053 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 :: 8.797 HA :: 4.665 HB2 :: 1.939 HB3 :: 1.932 HG2 :: 2.046 HG3 :: 2.221 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 :: 120.833 Ave N Shift Values>> N :: 120.68(3.68) Y117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.4 C Shift Assignments>> C :: 177.224 CA :: 58.689 CB :: 39.882 CD1 :: 133.596 CE1 :: 117.629 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 :: 8.933 HA :: 4.947 HB2 :: 2.502 HB3 :: 3.11 HD1 :: 6.998 HE1 :: 6.862 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 :: 121.895 Ave N Shift Values>> N :: 120.79(4.69) T118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 175.126 CA :: 62.324 CB :: 68.803 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 :: 8.901 HA :: 4.348 HB :: 4.364 HG2 :: 1.141 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 :: 110.516 Ave N Shift Values>> N :: 115.7(5.05) E119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.32 M 0.21 Q 0.04 K 0.03 I 0.01 C Shift Assignments>> CA :: 54.855 CB :: 31.18 CG :: 36.143 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 :: 7.288 HA :: 4.629 HB2 :: 1.878 HB3 :: 2.206 HG2 :: 2.359 HG3 :: 2.362 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 :: 121.491 Ave N Shift Values>> N :: 120.68(3.68) T120 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 175.532 CA :: 66.745 CB :: 68.445 CG2 :: 21.847 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>> HA :: 3.654 HB :: 4.083 HG2 :: 0.0(S) 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) E121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.3 I 0.23 K 0.08 Q 0.03 M 0.01 C Shift Assignments>> C :: 178.338 CA :: 59.728 CB :: 29.04 CG :: 36.115 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 :: 9.238 HA :: 4.016 HB2 :: 1.894 HB3 :: 2.02 HG2 :: 2.256 HG3 :: 2.3 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 :: 119.416 Ave N Shift Values>> N :: 120.68(3.68) L122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.34 R 0.05 A 0.02 C Shift Assignments>> C :: 176.815 CA :: 55.885 CB :: 40.948 CG :: 27.368 CD1 :: 25.931 CD2 :: 23.007 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 :: 6.606 HA :: 3.924 HB2 :: 0.638 HB3 :: 1.397 HG :: 1.41 HD1 :: 0.674 HD2 :: 0.535 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 :: 116.857 Ave N Shift Values>> N :: 121.98(4.07) R123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.37 G 0.1 K 0.1 C Shift Assignments>> C :: 179.171 CA :: 58.956 CB :: 30.546 CG :: 28.365 CD :: 43.573 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 :: 7.593 HA :: 4.107 HB2 :: 1.887 HB3 :: 1.893 HG2 :: 1.698 HG3 :: 1.703 HD2 :: 3.147 HD3 :: 3.197 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 :: 115.614 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.08 I 0.08 K 0.06 Q 0.02 C Shift Assignments>> C :: 176.504 CA :: 57.605 CB :: 30.387 CG :: 36.457 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 :: 7.842 HA :: 4.103 HB2 :: 1.903 HB3 :: 1.998 HG2 :: 2.241 HG3 :: 2.405 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 :: 114.784 Ave N Shift Values>> N :: 120.68(3.68) N125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.17 C 0.17 Y 0.03 F 0.02 L 0.02 HN Overlap>> Y53 C Shift Assignments>> CA :: 50.538 CB :: 39.075 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 :: 7.329 HA :: 5.059 HB2 :: 2.651 HB3 :: 2.632 HD21 :: 7.652 HD22 :: 6.886 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 :: 115.76 ND2 :: 114.676 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) P126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.65 C 0.34 C Shift Assignments>> CA :: 61.554 CB :: 31.115 CG :: 27.386 CD :: 49.93 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 :: 4.718 HB2 :: 2.016 HB3 :: 2.481 HG2 :: 2.059 HG3 :: 2.094 HD2 :: 3.335 HD3 :: 3.573 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) P127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> C :: 177.268 CA :: 61.674 CB :: 31.86 CG :: 27.2 CD :: 50.173 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 :: 4.403 HB2 :: 2.137 HB3 :: 2.145 HG2 :: 1.85 HG3 :: 1.907 HD2 :: 3.409 HD3 :: 3.41 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) V128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 176.646 CA :: 65.265 CB :: 31.639 CG1 :: 21.614 CG2 :: 20.854 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 :: 8.257 HA :: 3.659 HB :: 2.001 HG1 :: 1.037 HG2 :: 0.98 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 :: 120.806 Ave N Shift Values>> N :: 121.02(4.96) K129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.34 R 0.14 M 0.02 A 0.02 G 0.01 HN Overlap>> Q104 C Shift Assignments>> CA :: 51.213 CB :: 32.1 CG :: 24.111 CD :: 28.505 CE :: 41.695 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 :: 7.634 HA :: 4.773 HB2 :: 1.633 HB3 :: 1.801 HG2 :: 1.463 HG3 :: 1.465 HD2 :: 1.765 HD3 :: 1.763 HE2 :: 3.044 HE3 :: 3.06 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 :: 119.852 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) P130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 175.281 CA :: 62.487 CB :: 31.158 CG :: 27.974 CD :: 50.394 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 :: 4.003 HB2 :: 0.833 HB3 :: 1.41 HG2 :: 1.877 HG3 :: 2.017 HD2 :: 3.575 HD3 :: 3.852 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) D131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.28 C 0.14 L 0.06 F 0.03 Y 0.03 HN Overlap>> I151 C Shift Assignments>> C :: 177.224 CA :: 50.995 CB :: 40.027 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 :: 7.576 HA :: 4.938 HB2 :: 2.446 HB3 :: 2.904 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 :: 119.161 Ave N Shift Values>> N :: 120.73(4.2) F132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.43 F 0.3 C 0.25 C Shift Assignments>> C :: 177.037 CA :: 61.394 CB :: 37.9 CD1 :: 131.993 CE1 :: 131.911 CZ :: 130.262 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 :: 8.105 HA :: 3.514 HB2 :: 2.429 HB3 :: 2.8 HD1 :: 6.139 HE1 :: 6.974 HZ :: 7.098 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 :: 121.429 Ave N Shift Values>> N :: 120.69(4.18) S133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.079 CA :: 60.966 CB :: 63.018 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.382 HA :: 4.467 HB2 :: 4.214 HB3 :: 4.217 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 :: 113.866 Ave N Shift Values>> N :: 116.3(3.95) K134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.35 R 0.15 M 0.01 C Shift Assignments>> C :: 175.681 CA :: 54.786 CB :: 33.96 CG :: 25.071 CD :: 28.904 CE :: 41.999 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 :: 7.442 HA :: 4.744 HB2 :: 1.681 HB3 :: 2.352 HG2 :: 1.32 HG3 :: 1.422 HD2 :: 1.519 HD3 :: 1.675 HE2 :: 2.959 HE3 :: 2.956 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 :: 120.381 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L135 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.41 L 0.36 C 0.18 A 0.02 C Shift Assignments>> C :: 175.705 CA :: 54.102 CB :: 44.635 CG :: 25.646 CD1 :: 23.523 CD2 :: 25.519 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 :: 6.967 HA :: 4.327 HB2 :: 1.021 HB3 :: 1.514 HG :: 1.213 HD1 :: -0.185(S) HD2 :: -0.082 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 :: 121.429 Ave N Shift Values>> N :: 121.98(4.07) Q136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.36 C 0.33 E 0.14 Q 0.12 K 0.02 C Shift Assignments>> C :: 173.633 CA :: 54.355 CB :: 32.032 CG :: 34.77 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 :: 9.368 HA :: 4.714 HB2 :: 1.92 HB3 :: 1.943 HG2 :: 2.051 HG3 :: 2.052 HE21 :: 7.776 HE22 :: 6.778 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 :: 125.336 NE2 :: 111.966 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) R137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.26 G 0.18 K 0.09 HN Overlap>> Y44 C Shift Assignments>> C :: 174.274 CA :: 54.613 CB :: 32.81 CD :: 43.837 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 :: 9.582 HA :: 5.097 HB2 :: 1.302 HB3 :: 1.872 HD2 :: 2.798 HD3 :: 3.069 HE :: 6.546 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 :: 128.217 NE :: 121.723 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) N138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.27 C 0.14 L 0.05 F 0.03 Y 0.03 HN Overlap>> I31 N114 C Shift Assignments>> C :: 175.074 CA :: 51.089 CB :: 39.956 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 :: 8.881 HA :: 5.14 HB2 :: 2.723 HB3 :: 3.006 HD21 :: 7.498 HD22 :: 6.509 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 :: 124.694 ND2 :: 109.124 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) I139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.25 C Shift Assignments>> C :: 176.624 CA :: 62.105 CB :: 38.158 CG1 :: 29.05 CG2 :: 17.631 CD1 :: 15.088 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 :: 9.806 HA :: 4.284 HB :: 1.549 HG2 :: 0.639 HG12 :: 0.986 HG13 :: 1.777 HD1 :: 0.871 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 :: 127.325 Ave N Shift Values>> N :: 121.6(4.72) L140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 L 0.23 A 0.02 C Shift Assignments>> C :: 177.971 CA :: 54.494 CB :: 37.585 CG :: 27.566 CD1 :: 24.538 CD2 :: 23.954 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 :: 9.285 HA :: 4.701 HB2 :: 1.898 HB3 :: 2.047 HG :: 1.772 HD1 :: 0.972 HD2 :: 0.934 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 :: 131.376 Ave N Shift Values>> N :: 121.98(4.07) A141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 M 0.3 C 0.03 L 0.02 C Shift Assignments>> CA :: 53.692 CB :: 19.701 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 :: 4.232 HB :: 1.408 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.893 Ave N Shift Values>> N :: 123.23(3.7) S142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.077 CA :: 58.961 CB :: 63.296 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.37 HA :: 4.524 HB2 :: 3.996 HB3 :: 4.086 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 :: 110.469 Ave N Shift Values>> N :: 116.3(3.95) N143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.25 C 0.14 L 0.05 F 0.03 Y 0.03 C Shift Assignments>> CA :: 51.255 CB :: 39.677 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 :: 7.562 HA :: 5.432 HB2 :: 2.633 HB3 :: 2.985 HD21 :: 7.616 HD22 :: 6.911 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 :: 116.904 ND2 :: 111.337 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) P144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 176.718 CA :: 62.903 CB :: 31.455 CG :: 26.614 CD :: 50.211 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 :: 4.293 HB2 :: 1.286 HB3 :: 1.6 HG2 :: 2.053 HG3 :: 2.051 HD2 :: 3.63 HD3 :: 3.754 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) R145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.3 K 0.16 G 0.05 L 0.03 C Shift Assignments>> C :: 175.497 CA :: 54.273 CB :: 30.188 CG :: 26.357 CD :: 42.944 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 :: 8.99 HA :: 4.506 HB2 :: 1.613 HB3 :: 1.613 HG2 :: 1.483 HG3 :: 1.566 HD2 :: 3.068 HD3 :: 3.077 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 :: 122.756 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) V146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 HN Overlap>> V11 C Shift Assignments>> C :: 175.7 CA :: 61.844 CB :: 33.185 CG1 :: 21.643 CG2 :: 21.285 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 :: 8.809 HA :: 4.745 HB :: 1.968 HG1 :: 0.863 HG2 :: 0.852 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 :: 128.567 Ave N Shift Values>> N :: 121.02(4.96) T147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 171.727 CA :: 61.63 CB :: 70.186 CG2 :: 22.265 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 :: 9.086 HA :: 4.309 HB :: 3.617 HG2 :: 0.637 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 :: 125.493 Ave N Shift Values>> N :: 115.7(5.05) R148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 R 0.3 K 0.26 G 0.07 HN Overlap>> A76 C Shift Assignments>> C :: 174.816 CA :: 54.265 CB :: 32.647 CG :: 28.444 CD :: 43.185 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 :: 8.301 HA :: 4.761 HB2 :: 1.585 HB3 :: 1.928 HG2 :: 1.598 HG3 :: 1.588 HD2 :: 3.232 HD3 :: 3.324 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 :: 124.509 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) F149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.39 F 0.37 C 0.23 C Shift Assignments>> C :: 175.555 CA :: 55.81 CB :: 41.421 CD1 :: 131.974 CE1 :: 131.595 CZ :: 129.632 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 :: 7.989 HA :: 4.843 HB2 :: 2.999 HB3 :: 3.183 HD1 :: 6.88 HE1 :: 7.149 HZ :: 6.987 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 :: 119.911 Ave N Shift Values>> N :: 120.69(4.18) H150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.36 W 0.32 C 0.3 C Shift Assignments>> C :: 175.575 CA :: 56.442 CB :: 30.579 CD2 :: 119.476 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 :: 7.537 HA :: 4.884 HB2 :: 3.122 HB3 :: 3.152 HD2 :: 7.038 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 :: 115.322 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) I151 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.58 I 0.39 A 0.01 HN Overlap>> D131 C Shift Assignments>> C :: 173.507 CA :: 58.984 CB :: 40.624 CG1 :: 24.893 CG2 :: 19.207 CD1 :: 14.991 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 :: 7.539 HA :: 4.549 HB :: 1.328 HG2 :: 0.633 HG12 :: -0.367(S) HG13 :: 0.318 HD1 :: -0.365(S) 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 :: 119.124 Ave N Shift Values>> N :: 121.6(4.72) N152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 C 0.19 D 0.1 Y 0.05 F 0.04 E 0.01 M 0.01 L 0.01 C Shift Assignments>> C :: 176.132 CA :: 52.271 CB :: 37.953 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 :: 8.155 HA :: 4.907 HB2 :: 2.786 HB3 :: 3.028 HD21 :: 7.544 HD22 :: 7.049 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 :: 116.386 ND2 :: 112.669 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) W153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 W 0.43 H 0.1 C Shift Assignments>> C :: 176.136 CA :: 58.262 CB :: 29.87 CD1 :: 129.27 CE3 :: 121.214 CZ2 :: 114.172 CZ3 :: 121.936 CH2 :: 124.552 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 :: 8.977 HA :: 4.391 HB2 :: 3.019 HB3 :: 3.368 HD1 :: 7.355 HE1 :: 10.702 HE3 :: 6.908 HZ2 :: 6.772 HZ3 :: 5.751 HH2 :: 5.019 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 :: 126.551 NE1 :: 131.5 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) E154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 M 0.15 K 0.06 Q 0.05 I 0.02 C Shift Assignments>> C :: 176.104 CA :: 56.121 CB :: 30.726 CG :: 36.138 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 :: 8.193 HA :: 4.451 HB2 :: 2.132 HB3 :: 2.219 HG3 :: 2.375 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 :: 118.689 Ave N Shift Values>> N :: 120.68(3.68) D155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.19 K 0.12 C 0.11 N 0.09 F 0.08 Y 0.07 R 0.03 C Shift Assignments>> C :: 175.078 CA :: 54.409 CB :: 41.134 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 :: 8.586 HA :: 4.648 HB2 :: 2.598 HB3 :: 2.79 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 :: 121.641 Ave N Shift Values>> N :: 120.73(4.2) N156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 N 0.16 L 0.14 C 0.12 F 0.1 Y 0.09 K 0.06 C Shift Assignments>> CA :: 54.398 CB :: 40.402 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 :: 7.966 HA :: 4.44 HB2 :: 2.659 HB3 :: 2.748 HD21 :: 7.514 HD22 :: 6.801 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 :: 123.724 ND2 :: 112.676 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) ########################################################################### Overall Results: #Consistent: 138 #Clerical: 0 #Suspicious: 17 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 156 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 156 #Suspicious: 0 C Shift Results: #Consistent: 668 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 884 #Duplicate: 0 #Unknown: 0 #Suspicious: 20 #Anomalous: 1 N Shift Results: #Consistent: 166 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: K3 H = 3.63(M), Expected = 8.22, Std = 0.6400, ChiSquare = 7.3977e-13 K3 HB2 = 0.705(S), Expected = 1.79, Std = 0.2500, ChiSquare = 1.4248e-05 V4 H = 5.621(S), Expected = 8.29, Std = 0.7100, ChiSquare = 1.7049e-04 T27 HG2 = 0.0(S), Expected = 1.16, Std = 0.2800, ChiSquare = 3.4301e-05 L38 HD1 = 1.812(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.1373e-04 W40 HE1 = 7.203(S), Expected = 10.13, Std = 0.5300, ChiSquare = 3.3394e-08 Q55 HE21 = 9.001(S), Expected = 7.17, Std = 0.4600, ChiSquare = 6.8789e-05 H70 HB2 = 1.132(S), Expected = 3.12, Std = 0.4300, ChiSquare = 3.7776e-06 M71 HE = 0.0(S), Expected = 1.86, Std = 0.4700, ChiSquare = 7.5755e-05 P79 HG2 = 0.422(S), Expected = 1.93, Std = 0.3600, ChiSquare = 2.8032e-05 P81 HB2 = 0.686(S), Expected = 2.05, Std = 0.3900, ChiSquare = 4.6975e-04 T93 HG2 = 0.0(S), Expected = 1.16, Std = 0.2800, ChiSquare = 3.4301e-05 T98 HG2 = 0.0(S), Expected = 1.16, Std = 0.2800, ChiSquare = 3.4301e-05 C99 HB2 = 1.005(S), Expected = 2.95, Std = 0.4300, ChiSquare = 6.0896e-06 C99 HB3 = 1.01(S), Expected = 2.98, Std = 0.4500, ChiSquare = 1.1990e-05 T100 HG2 = 0.0(S), Expected = 1.16, Std = 0.2800, ChiSquare = 3.4301e-05 R102 HG2 = 0.265(S), Expected = 1.58, Std = 0.2700, ChiSquare = 1.1139e-06 T120 HG2 = 0.0(S), Expected = 1.16, Std = 0.2800, ChiSquare = 3.4301e-05 L135 HD1 = -0.185(S), Expected = 0.77, Std = 0.2700, ChiSquare = 4.0464e-04 I151 HG12 = -0.367(S), Expected = 1.30, Std = 0.4000, ChiSquare = 3.0796e-05 I151 HD1 = -0.365(S), Expected = 0.70, Std = 0.3000, ChiSquare = 3.8523e-04