Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P2 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> C 0.59 P 0.4 C Shift Assignments>> C :: 172 CA :: 61.4 CB :: 32.6 CG :: 26.3 CD :: 49.3 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.34 HB2 :: 2.13 HB3 :: 1.23 HG2 :: 1.59 HG3 :: 1.11 HD2 :: 3.17 HD3 :: 2.55 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 53.2(A) Ave N Shift Values>> N :: 134.16(6.62) 1.K3 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.51 K 0.43 R 0.04 C Shift Assignments>> C :: 175.8 CA :: 55.6 CB :: 36 CG :: 24.9 CD :: 29.1 CE :: 41.3 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 10.19(S) HA :: 5.5 HB2 :: 2.05 HB3 :: 1.81 HG2 :: 1.55 HG3 :: 1.5 HD2 :: 1.57 HD3 :: 1.52 HE2 :: 2.69 HE3 :: 2.69 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.3 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A4 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.44 L 0.3 C 0.19 G 0.03 K 0.01 C Shift Assignments>> C :: 173.8 CA :: 49.6 CB :: 22.9 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.47 HA :: 6.04(S) HB1 :: 1.21 HB2 :: 1.21 HB3 :: 1.21 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.7 Ave N Shift Values>> N :: 123.23(3.54) 1.L5 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.49 L 0.2 C 0.15 R 0.1 G 0.03 HN Overlap>> 1.I126 1.I126 C Shift Assignments>> C :: 174.6 CA :: 52.6 CB :: 42.6 CG :: 27.1 CD1 :: 27 CD2 :: 21.1 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.15 HA :: 4.97 HB2 :: 0.89 HB3 :: -0.85(S) HG :: 1.04 HD11 :: 0.59 HD12 :: 0.59 HD13 :: 0.59 HD21 :: 0.5 HD22 :: 0.5 HD23 :: 0.5 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.8 Ave N Shift Values>> N :: 121.86(3.9) 1.I6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.43 C Shift Assignments>> C :: 174.8 CA :: 59.6 CB :: 40.4 CG1 :: 27.6 CG2 :: 17.9 CD1 :: 14.7 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.15 HA :: 5.39 HB :: 1.89 HG12 :: 1.52 HG13 :: 1.04 HG21 :: 1.1 HG22 :: 1.1 HG23 :: 1.1 HD11 :: 0.74 HD12 :: 0.74 HD13 :: 0.74 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.8 Ave N Shift Values>> N :: 121.46(4.28) 1.V7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 V 0.49 C Shift Assignments>> C :: 174.9 CA :: 59.9 CB :: 34.1 CG1 :: 21.5 CG2 :: 21.1 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.78 HA :: 5.57 HB :: 1.93 HG11 :: 0.72 HG12 :: 0.72 HG13 :: 0.72 HG21 :: 0.84 HG22 :: 0.84 HG23 :: 0.84 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.4 Ave N Shift Values>> N :: 121.14(4.54) 1.Y8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.36 G 0.03 C Shift Assignments>> C :: 172.8 CA :: 53.8 CB :: 41.9 CG :: 127.4 CD1 :: 133.4 CE1 :: 118 CZ :: 160.6 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.82 HA :: 6.31 HB2 :: 2.55 HB3 :: 2.55 HD1 :: 6.57 HE1 :: 6.72 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.6 Ave N Shift Values>> N :: 120.52(4.2) 1.G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.16 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 172.6 CA :: 44.9 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4 HA2 :: 5.06 HA3 :: 3.56 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110 Ave N Shift Values>> N :: 109.67(3.87) 1.S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.63 T 0.36 C Shift Assignments>> C :: 174.1 CA :: 56.9 CB :: 67.1 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.25 HA :: 5.28 HB2 :: 3.99 HB3 :: 3.51 HG :: 7.75 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118 Ave N Shift Values>> N :: 116.28(3.52) 1.T11 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Suspicious PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 175.5 CA :: 65.4 CB :: 69.6 CG2 :: 22.4 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 11.63(S) HA :: 4.41 HB :: 4.34 HG21 :: 0.93 HG22 :: 0.93 HG23 :: 0.93 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 131.4(S) Ave N Shift Values>> N :: 115.42(4.75) 1.T12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.67 C 0.32 C Shift Assignments>> C :: 174.9 CA :: 60.4 CB :: 68.9 CG2 :: 23 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.62 HA :: 4.89 HB :: 4.66 HG1 :: 8.38 HG21 :: 1.46 HG22 :: 1.46 HG23 :: 1.46 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.2 Ave N Shift Values>> N :: 115.42(4.75) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 177.1 CA :: 45.8 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.58 HA2 :: 4.54 HA3 :: 3.92 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110 Ave N Shift Values>> N :: 109.67(3.87) 1.N14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 N 0.05 C Shift Assignments>> C :: 179 CA :: 57.1 CB :: 35.8 CG :: 175.2 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.81 HA :: 4.79 HB2 :: 3.51 HB3 :: 3 HD21 :: 8.85 HD22 :: 6.85 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 127.8 ND2 :: 114.7 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T15 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> T 0.75 C 0.24 C Shift Assignments>> C :: 176.4 CA :: 68 CB :: 66.9 CG2 :: 22.7 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 11.99(A) HA :: 3.82 HB :: 4.26 HG1 :: 6.34 HG21 :: 1.12 HG22 :: 1.12 HG23 :: 1.12 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 127.7 Ave N Shift Values>> N :: 115.42(4.75) 1.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.26 I 0.12 K 0.12 Q 0.09 M 0.01 C Shift Assignments>> C :: 176.3 CA :: 59.8 CB :: 29.2 CG :: 35.4 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.26 HA :: 2.94 HB2 :: 1.99 HB3 :: 1.88 HG2 :: 1.95 HG3 :: 1.91 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.6 Ave N Shift Values>> N :: 120.67(3.48) 1.Y17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 Y 0.49 C Shift Assignments>> C :: 179.2 CA :: 61.3 CB :: 37.5 CG :: 129.3 CD1 :: 132.7 CE1 :: 118.4 CZ :: 160.3 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.19 HA :: 4.1 HB2 :: 3.28 HB3 :: 3.17 HD1 :: 6.87 HE1 :: 6.52 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121 Ave N Shift Values>> N :: 120.52(4.2) 1.T18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 HN Overlap>> 1.N114 1.N114 1.F71 1.F71 C Shift Assignments>> C :: 174.6 CA :: 68.1 CB :: 67.6 CG2 :: 21.9 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.04 HA :: 3.3 HB :: 4.35 HG1 :: 0.87 HG21 :: 0.84 HG22 :: 0.84 HG23 :: 0.84 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 120 Ave N Shift Values>> N :: 115.42(4.75) 1.A19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 M 0.41 C 0.05 I 0.03 V 0.01 L 0.01 C Shift Assignments>> C :: 178.4 CA :: 55.4 CB :: 19 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.29 HA :: 3.44 HB1 :: 1.24 HB2 :: 1.24 HB3 :: 1.24 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.7 Ave N Shift Values>> N :: 123.23(3.54) 1.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 C 0.46 Q 0.01 C Shift Assignments>> C :: 179.1 CA :: 59 CB :: 29.4 CG :: 35.9 CD :: 182.7 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.1 HA :: 3.86 HB2 :: 1.96 HB3 :: 1.83 HG2 :: 2.24 HG3 :: 2.08 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.1 Ave N Shift Values>> N :: 120.67(3.48) 1.T21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 176.6 CA :: 66.7 CB :: 67.9 CG2 :: 21.1 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.69 HA :: 3.61 HB :: 4.06 HG1 :: 0.34 HG21 :: 0.99 HG22 :: 0.99 HG23 :: 0.99 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.9 Ave N Shift Values>> N :: 115.42(4.75) 1.I22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 C 0.1 C Shift Assignments>> C :: 177.1 CA :: 66.1 CB :: 38.1 CG1 :: 29.8 CG2 :: 17.6 CD1 :: 13.3 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.85 HA :: 3.1 HB :: 1.41 HG12 :: 1.47 HG13 :: 0.47 HG21 :: 0.62 HG22 :: 0.62 HG23 :: 0.62 HD11 :: -0.27 HD12 :: -0.27 HD13 :: -0.27 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.4 Ave N Shift Values>> N :: 121.46(4.28) 1.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.3 I 0.06 C 0.03 C Shift Assignments>> C :: 179.4 CA :: 55.7 CB :: 18.2 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.68 HA :: 3.61 HB1 :: 1.42 HB2 :: 1.42 HB3 :: 1.42 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.8 Ave N Shift Values>> N :: 123.23(3.54) 1.R24 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> C 0.43 R 0.42 K 0.1 G 0.03 L 0.01 HN Overlap>> 1.F50 1.F50 C Shift Assignments>> C :: 178.3 CA :: 58.8 CB :: 29.7 CG :: 26.9 CD :: 42.9 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.63 HA :: 3.99 HB2 :: 1.99 HB3 :: 1.91 HG2 :: 1.7 HG3 :: 1.7 HD2 :: 3.22 HD3 :: 3.22 HE :: 7.43 HH11 :: 6.91 HH12 :: 6.47 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.8 NE :: 85.9 NH1 :: 72 NH2 :: 70(A) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 E 0.45 Q 0.01 D 0.01 C Shift Assignments>> C :: 180 CA :: 58.5 CB :: 29.4 CG :: 37.1 CD :: 181 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.31 HA :: 3.95 HB2 :: 2.08 HB3 :: 1.93 HG2 :: 2.5 HG3 :: 2.19 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.8 Ave N Shift Values>> N :: 120.67(3.48) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.48 C Shift Assignments>> C :: 179.5 CA :: 57.9 CB :: 40.5 CG :: 27.1 CD1 :: 25.4 CD2 :: 22.6 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.13 HA :: 3.69 HB2 :: 1.62 HB3 :: 0.79 HG :: 1.42 HD11 :: 0.38 HD12 :: 0.38 HD13 :: 0.38 HD21 :: 0.09 HD22 :: 0.09 HD23 :: 0.09 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.3 Ave N Shift Values>> N :: 121.86(3.9) 1.A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.44 I 0.02 C 0.01 HN Overlap>> 1.A43 1.A43 C Shift Assignments>> C :: 182.5 CA :: 54.6 CB :: 17.8 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.63 HA :: 4.71 HB1 :: 1.54 HB2 :: 1.54 HB3 :: 1.54 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.5 Ave N Shift Values>> N :: 123.23(3.54) 1.D28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.59 C 0.39 C Shift Assignments>> C :: 177.2 CA :: 56.7 CB :: 40.5 CG :: 181 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.3 HA :: 4.5 HB2 :: 2.83 HB3 :: 2.68 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.5 Ave N Shift Values>> N :: 120.65(3.86) 1.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.1 C 0.01 C Shift Assignments>> C :: 177.4 CA :: 51.5 CB :: 18.5 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.35 HA :: 4.55 HB1 :: 1.52 HB2 :: 1.52 HB3 :: 1.52 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.8 Ave N Shift Values>> N :: 123.23(3.54) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 175.4 CA :: 45.2 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.96 HA2 :: 4.37 HA3 :: 3.8 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.7 Ave N Shift Values>> N :: 109.67(3.87) 1.Y31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 C Shift Assignments>> C :: 176.5 CA :: 58.5 CB :: 38.2 CG :: 131.5 CD1 :: 132.3 CE1 :: 117.7 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.17 HA :: 4.43 HB2 :: 2.62 HB3 :: 2.43 HD1 :: 6.89 HE1 :: 6.6 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.5 Ave N Shift Values>> N :: 120.52(4.2) 1.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 C 0.43 HN Overlap>> 1.A83 1.A83 C Shift Assignments>> C :: 175.8 CA :: 56.2 CB :: 30.2 CG :: 36.2 CD :: 183.4 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.45 HA :: 4.58 HB2 :: 2.15 HB3 :: 2.08 HG2 :: 2.37 HG3 :: 2.27 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122 Ave N Shift Values>> N :: 120.67(3.48) 1.V33 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 :: 174.3 CA :: 61.5 CB :: 34.1 CG1 :: 22.2 CG2 :: 21.8 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.8 HA :: 4.96 HB :: 1.99 HG11 :: 0.91 HG12 :: 0.91 HG13 :: 0.91 HG21 :: 0.85 HG22 :: 0.85 HG23 :: 0.85 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.5 Ave N Shift Values>> N :: 121.14(4.54) 1.D34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.74 G 0.15 C 0.09 N 0.01 C Shift Assignments>> C :: 174.1 CA :: 52.6 CB :: 43 CG :: 180 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.9 HA :: 4.93 HB2 :: 3 HB3 :: 2.71 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 130.7 Ave N Shift Values>> N :: 120.65(3.86) 1.S35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.1 CA :: 56.3 CB :: 64.2 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.33 HA :: 5.64 HB2 :: 3.8 HB3 :: 3.53 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.2 Ave N Shift Values>> N :: 116.28(3.52) 1.R36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 G 0.35 R 0.2 C Shift Assignments>> C :: 173.1 CA :: 54.1 CB :: 34.5 CG :: 26.4 CD :: 44.1 CZ :: 159.9 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.54 HA :: 4.72 HB2 :: 1.51 HB3 :: 1.35 HG2 :: 1.59 HG3 :: 1.42 HD2 :: 3.24 HD3 :: 2.7 HE :: 7.81 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.9 NE :: 85.7 NH1 :: 72.5 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.D37 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.77 N 0.13 C 0.08 C Shift Assignments>> C :: 175.8 CA :: 52.7 CB :: 41.3 CG :: 179.1 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.2 HA :: 3.45(S) HB2 :: 2.55 HB3 :: 2.52 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.2 Ave N Shift Values>> N :: 120.65(3.86) 1.A38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 M 0.36 C 0.02 I 0.01 C Shift Assignments>> C :: 178 CA :: 54.4 CB :: 18.5 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.36 HA :: 3.62 HB1 :: 0.96 HB2 :: 0.96 HB3 :: 0.96 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.9 Ave N Shift Values>> N :: 123.23(3.54) 1.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.28 C 0.02 C Shift Assignments>> C :: 178.7 CA :: 54 CB :: 18.7 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.93 HA :: 4.22 HB1 :: 1.29 HB2 :: 1.29 HB3 :: 1.29 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.3 Ave N Shift Values>> N :: 123.23(3.54) 1.S40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.8 CA :: 58 CB :: 65 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.11 HA :: 4.61 HB2 :: 4.04 HB3 :: 3.93 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 110.6 Ave N Shift Values>> N :: 116.28(3.52) 1.V41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 V 0.34 C Shift Assignments>> C :: 175 CA :: 59.7 CB :: 33.7 CG1 :: 22.3 CG2 :: 19.1 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 6.97 HA :: 4.62 HB :: 2.13 HG11 :: 0.78 HG12 :: 0.78 HG13 :: 0.78 HG21 :: 0.74 HG22 :: 0.74 HG23 :: 0.74 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 114 Ave N Shift Values>> N :: 121.14(4.54) 1.E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.33 M 0.25 Q 0.04 K 0.01 C Shift Assignments>> C :: 176.5 CA :: 54.3 CB :: 31.2 CG :: 36.3 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.22 HA :: 4.46 HB2 :: 2 HB3 :: 1.85 HG2 :: 2.22 HG3 :: 2.22 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.8 Ave N Shift Values>> N :: 120.67(3.48) 1.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.2 C 0.09 L 0.06 V 0.03 I 0.01 T 0.01 HN Overlap>> 1.A27 1.A27 C Shift Assignments>> C :: 179.2 CA :: 55.3 CB :: 20 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.6 HA :: 3.54 HB1 :: 1.2 HB2 :: 1.2 HB3 :: 1.2 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.4 Ave N Shift Values>> N :: 123.23(3.54) 1.G44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 P 0.1 C 0.1 A 0.06 L 0.03 N 0.02 C Shift Assignments>> C :: 176.5 CA :: 47.8 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.29 HA2 :: 3.67 HA3 :: 3.53 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.8 Ave N Shift Values>> N :: 109.67(3.87) 1.G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> C :: 176.5 CA :: 46.4 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.96 HA2 :: 3.98 HA3 :: 3.82 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.7 Ave N Shift Values>> N :: 109.67(3.87) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 L 0.26 R 0.19 G 0.01 C Shift Assignments>> C :: 176.8 CA :: 58.1 CB :: 42.1 CG :: 27 CD1 :: 27.3 CD2 :: 22 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.55 HA :: 4.07 HB2 :: 1.93 HB3 :: 1.1 HG :: 1.63 HD11 :: 0.77 HD12 :: 0.77 HD13 :: 0.77 HD21 :: 1.03 HD22 :: 1.03 HD23 :: 1.03 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.8 Ave N Shift Values>> N :: 121.86(3.9) 1.F47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 F 0.31 C Shift Assignments>> C :: 176.4 CA :: 54.1 CB :: 36.6 CG :: 140.8 CD1 :: 130 CE1 :: 131.1 CZ :: 127.9 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.53 HA :: 4.88 HB2 :: 3.33 HB3 :: 3.14 HD1 :: 6.73 HE1 :: 6.99 HZ :: 6.95 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 110.2 Ave N Shift Values>> N :: 120.45(4.18) 1.E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 C 0.46 Q 0.01 C Shift Assignments>> C :: 177.8 CA :: 58.1 CB :: 28.9 CG :: 35.9 CD :: 183.1 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.58 HA :: 4.07 HB2 :: 2.08 HB3 :: 2.04 HG2 :: 2.35 HG3 :: 2.28 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.1 Ave N Shift Values>> N :: 120.67(3.48) 1.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.14 C 0.03 R 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 174.2 CA :: 45 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.47 HA2 :: 3.93 HA3 :: 3.6 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.4 Ave N Shift Values>> N :: 109.67(3.87) 1.F50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.61 C 0.38 HN Overlap>> 1.R24 1.R24 C Shift Assignments>> C :: 175.2 CA :: 59.6 CB :: 40.3 CG :: 140.2 CD1 :: 132.8 CE1 :: 132 CZ :: 130.7 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.59 HA :: 4.46 HB2 :: 2.98 HB3 :: 2.8 HD1 :: 7.01 HE1 :: 7.54 HZ :: 7.44 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 116.8 Ave N Shift Values>> N :: 120.45(4.18) 1.D51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.63 C 0.26 G 0.09 C Shift Assignments>> C :: 175.2 CA :: 56.6 CB :: 42.9 CG :: 179.7 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.69 HA :: 4.64 HB2 :: 2.89 HB3 :: 2.68 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.1 Ave N Shift Values>> N :: 120.65(3.86) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 A 0.25 C 0.2 L 0.12 HN Overlap>> 1.L115 1.L115 C Shift Assignments>> C :: 173.8 CA :: 53.8 CB :: 46.1 CG :: 27.6 CD1 :: 25.7 CD2 :: 21.6 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.77 HA :: 4.91 HB2 :: 1.5 HB3 :: 1.48 HG :: 1.26 HD11 :: 0.57 HD12 :: 0.57 HD13 :: 0.57 HD21 :: 0.68 HD22 :: 0.68 HD23 :: 0.68 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.9 Ave N Shift Values>> N :: 121.86(3.9) 1.V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 V 0.46 C Shift Assignments>> C :: 173.5 CA :: 60.6 CB :: 34.4 CG1 :: 20.6 CG2 :: 19.9 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.58 HA :: 4.82 HB :: 1.49 HG11 :: 0.46 HG12 :: 0.46 HG13 :: 0.46 HG21 :: -0.07 HG22 :: -0.07 HG23 :: -0.07 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.7 Ave N Shift Values>> N :: 121.14(4.54) 1.L54 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.53 L 0.23 C 0.15 R 0.06 A 0.01 C Shift Assignments>> C :: 175.4 CA :: 52.4 CB :: 44.5 CG :: 27.6 CD1 :: 27.3 CD2 :: 24.2 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.47 HA :: 5.97(S) HB2 :: 2.14 HB3 :: 1.52 HG :: 1.55 HD11 :: 0.79 HD12 :: 0.79 HD13 :: 0.79 HD21 :: 0.99 HD22 :: 0.99 HD23 :: 0.99 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.5 Ave N Shift Values>> N :: 121.86(3.9) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.24 C 0.12 R 0.01 A 0.01 C Shift Assignments>> C :: 174.5 CA :: 52.7 CB :: 45 CG :: 27.2 CD1 :: 26.8 CD2 :: 24.2 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.31 HA :: 5.5 HB2 :: 2.06 HB3 :: 1.5 HG :: 1.66 HD11 :: 1.06 HD12 :: 1.06 HD13 :: 1.06 HD21 :: 1.02 HD22 :: 1.02 HD23 :: 1.02 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121 Ave N Shift Values>> N :: 121.86(3.9) 1.G56 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.33 R 0.2 K 0.14 D 0.11 F 0.08 Y 0.04 C 0.03 I 0.01 G 0.01 C Shift Assignments>> C :: 172.9 CA :: 42.6 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.92 HA2 :: 4.33 HA3 :: 1.55(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.9 Ave N Shift Values>> N :: 109.67(3.87) 1.C57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 W 0.17 E 0.14 R 0.12 H 0.11 Q 0.08 K 0.05 M 0.04 I 0.03 V 0.03 C Shift Assignments>> C :: 172.9 CA :: 59 CB :: 30.3 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.94 HA :: 4.95 HB2 :: 2.04 HB3 :: 1.64 HG :: 2.77 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.5 Ave N Shift Values>> N :: 120.17(4.64) 1.S58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174 CA :: 56.3 CB :: 63.9 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.49 HA :: 5.06 HB2 :: 4.46 HB3 :: 4 HG :: 8.52 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.3 Ave N Shift Values>> N :: 116.28(3.52) 1.T59 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 171 CA :: 63.4 CB :: 70.4 CG2 :: 22.7 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 6.02(S) HA :: 4.39 HB :: 3.25 HG1 :: 6.16 HG21 :: 1.3 HG22 :: 1.3 HG23 :: 1.3 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111 Ave N Shift Values>> N :: 115.42(4.75) 1.W60 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.55 C 0.44 C Shift Assignments>> C :: 174.5 CA :: 56.3 CB :: 30 CG :: 112 CD1 :: 125.2 CD2 :: 128.4 CE2 :: 138.5 CE3 :: 119.3 CZ2 :: 114.9 CZ3 :: 122.1 CH2 :: 123.9 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.6 HA :: 2.9(S) HB2 :: 3.22 HB3 :: 2.03 HD1 :: 6.28 HE1 :: 10.63 HE3 :: 7.04 HZ2 :: 8.2 HZ3 :: 7.16 HH2 :: 7.23 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 129.8 NE1 :: 128.4 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) SRO Rule Breaks>> (HA > HB2 : 0.9942) 1.G61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 174.6 CA :: 45.3 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.51 HA2 :: 5.01 HA3 :: 3.74 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.1 Ave N Shift Values>> N :: 109.67(3.87) 1.D62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.72 C 0.23 N 0.04 HN Overlap>> 1.V120 1.V120 C Shift Assignments>> C :: 176 CA :: 55.8 CB :: 40.7 CG :: 179.8 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.83 HA :: 4.96 HB2 :: 2.98 HB3 :: 2.79 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.5 Ave N Shift Values>> N :: 120.65(3.86) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.2 F 0.12 N 0.1 Y 0.1 K 0.07 C 0.06 C Shift Assignments>> C :: 175.1 CA :: 54.9 CB :: 40.8 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.22 HA :: 4.76 HB2 :: 2.87 HB3 :: 2.79 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.7 Ave N Shift Values>> N :: 120.65(3.86) 1.S64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.9 CA :: 57.2 CB :: 64.2 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.8 HA :: 4.56 HB2 :: 3.93 HB3 :: 3.83 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111 Ave N Shift Values>> N :: 116.28(3.52) 1.I65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 HN Overlap>> 1.F75 1.F75 C Shift Assignments>> C :: 175.4 CA :: 61.8 CB :: 38.2 CG1 :: 28.4 CG2 :: 16.6 CD1 :: 13 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.21 HA :: 4.14 HB :: 1.59 HG12 :: 1.28 HG13 :: 0.84 HG21 :: 0.61 HG22 :: 0.61 HG23 :: 0.61 HD11 :: 0.55 HD12 :: 0.55 HD13 :: 0.55 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.7 Ave N Shift Values>> N :: 121.46(4.28) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 E 0.42 C Shift Assignments>> C :: 175.2 CA :: 53.6 CB :: 32.3 CG :: 36.1 CD :: 183 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.61 HA :: 4.57 HB2 :: 1.91 HB3 :: 1.33 HG2 :: 2.35 HG3 :: 2.23 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125 Ave N Shift Values>> N :: 120.67(3.48) 1.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 L 0.39 R 0.06 A 0.01 C Shift Assignments>> C :: 174.8 CA :: 55.1 CB :: 41.9 CG :: 29.2 CD1 :: 24.4 CD2 :: 24.1 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.76 HA :: 3.97 HB2 :: 1.54 HB3 :: 1.44 HG :: 1.43 HD11 :: 0.38 HD12 :: 0.38 HD13 :: 0.38 HD21 :: 0.27 HD22 :: 0.27 HD23 :: 0.27 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.8 Ave N Shift Values>> N :: 121.86(3.9) 1.Q68 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.62 Q 0.36 C Shift Assignments>> C :: 177.5 CA :: 58.8 CB :: 27.3 CG :: 33.2 CD :: 178.8 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 6(S) HA :: 3.38 HB2 :: 2.44 HB3 :: 2 HG2 :: 2.37 HG3 :: 2.23 HE21 :: 7.55 HE22 :: 6.77 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.6 NE2 :: 108.9 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 D 0.48 N 0.01 HN Overlap>> 1.A107 1.A107 C Shift Assignments>> C :: 178 CA :: 58.4 CB :: 41.4 CG :: 179.1 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.64 HA :: 3.94 HB2 :: 2.41 HB3 :: 2.23 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.7 Ave N Shift Values>> N :: 120.65(3.86) 1.D70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.72 C 0.24 N 0.02 C Shift Assignments>> C :: 175.9 CA :: 56.4 CB :: 41.3 CG :: 179.6 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.57 HA :: 4.4 HB2 :: 3.19 HB3 :: 2.4 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 113 Ave N Shift Values>> N :: 120.65(3.86) 1.F71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.51 C 0.25 G 0.22 HN Overlap>> 1.N114 1.T18 1.N114 1.T18 C Shift Assignments>> C :: 176.4 CA :: 58.6 CB :: 43.5 CG :: 141.5 CD1 :: 132.7 CE1 :: 130.1 CZ :: 128.7 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.99 HA :: 3.88 HB2 :: 3.32 HB3 :: 2.9 HD1 :: 7.06 HE1 :: 7.11 HZ :: 7.11 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120 Ave N Shift Values>> N :: 120.45(4.18) 1.I72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 C Shift Assignments>> C :: 173.9 CA :: 68.6 CB :: 36.3 CG1 :: 30.7 CG2 :: 17 CD1 :: 13.5 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.16 HA :: 3.67 HB :: 1.93 HG12 :: 1.68 HG13 :: 0.9 HG21 :: 0.93 HG22 :: 0.93 HG23 :: 0.93 HD11 :: 0.91 HD12 :: 0.91 HD13 :: 0.91 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.9 Ave N Shift Values>> N :: 121.46(4.28) 1.P73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 179.4 CA :: 65.8 CB :: 30.7 CG :: 28.3 CD :: 49.4 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.36 HB2 :: 2.28 HB3 :: 1.75 HG2 :: 2.07 HG3 :: 1.92 HD2 :: 3.62 HD3 :: 3.53 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 133.8 Ave N Shift Values>> N :: 134.16(6.62) 1.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.45 C Shift Assignments>> C :: 177.7 CA :: 57.3 CB :: 40.4 CG :: 27 CD1 :: 26.2 CD2 :: 23.2 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.85 HA :: 3.78 HB2 :: 1.2 HB3 :: 1.1 HG :: 1.02 HD11 :: 0.24 HD12 :: 0.24 HD13 :: 0.24 HD21 :: 0.51 HD22 :: 0.51 HD23 :: 0.51 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.2 Ave N Shift Values>> N :: 121.86(3.9) 1.F75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.76 C 0.23 HN Overlap>> 1.I65 1.I65 C Shift Assignments>> C :: 179.3 CA :: 62 CB :: 40.1 CG :: 138.2 CD1 :: 132.1 CD2 :: 131.5 CZ :: 130.2 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.26 HA :: 3.93 HB2 :: 3.43 HB3 :: 3.01 HD1 :: 7.25 HD2 :: 7.31 HZ :: 7.36 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.7 Ave N Shift Values>> N :: 120.45(4.18) 1.D76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.51 C 0.33 N 0.15 C Shift Assignments>> C :: 176.8 CA :: 56.9 CB :: 40.2 CG :: 178 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.95 HA :: 4.31 HB2 :: 2.72 HB3 :: 2.72 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.2 Ave N Shift Values>> N :: 120.65(3.86) 1.S77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.9 CA :: 57.2 CB :: 63.6 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.38 HA :: 4.86 HB2 :: 4 HB3 :: 3.53 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.1 Ave N Shift Values>> N :: 116.28(3.52) 1.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.36 G 0.02 R 0.02 C Shift Assignments>> C :: 178.8 CA :: 57.3 CB :: 42.7 CG :: 26.7 CD1 :: 24.5 CD2 :: 24.5 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.09 HA :: 3.85 HB2 :: 1.63 HB3 :: 1.2 HG :: 2.04 HD11 :: 0.81 HD12 :: 0.81 HD13 :: 0.81 HD21 :: 0.85 HD22 :: 0.85 HD23 :: 0.85 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.7 Ave N Shift Values>> N :: 121.86(3.9) 1.E79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 E 0.45 C Shift Assignments>> C :: 177.1 CA :: 59.8 CB :: 29.1 CG :: 36.8 CD :: 183.6 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 10.27 HA :: 4.01 HB2 :: 2.09 HB3 :: 2.02 HG2 :: 2.43 HG3 :: 2.32 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.5 Ave N Shift Values>> N :: 120.67(3.48) 1.E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 C 0.45 C Shift Assignments>> C :: 178.3 CA :: 56.3 CB :: 30.1 CG :: 36 CD :: 183.9 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.06 HA :: 4.53 HB2 :: 2.29 HB3 :: 1.84 HG2 :: 2.22 HG3 :: 2.22 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.8 Ave N Shift Values>> N :: 120.67(3.48) 1.T81 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 175.2 CA :: 63.6 CB :: 70.8 CG2 :: 22.6 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.29 HA :: 4.25 HB :: 2.53(S) HG1 :: 4.4 HG21 :: 1.03 HG22 :: 1.03 HG23 :: 1.03 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 109.2 Ave N Shift Values>> N :: 115.42(4.75) 1.G82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 175.6 CA :: 46.3 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.06 HA2 :: 4.26 HA3 :: 3.9 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.6 Ave N Shift Values>> N :: 109.67(3.87) 1.A83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.23 C 0.02 HN Overlap>> 1.E32 1.E32 C Shift Assignments>> C :: 177.1 CA :: 54 CB :: 19 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.36 HA :: 4 HB1 :: 1.37 HB2 :: 1.37 HB3 :: 1.37 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122 Ave N Shift Values>> N :: 123.23(3.54) 1.Q84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 Q 0.4 E 0.06 C Shift Assignments>> C :: 177.8 CA :: 58.7 CB :: 27.7 CG :: 33.8 CD :: 180.4 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.06 HA :: 3.69 HB2 :: 2.18 HB3 :: 2.06 HG2 :: 2.54 HG3 :: 2.43 HE21 :: 7.57 HE22 :: 6.92 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.2 NE2 :: 111.3 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 172.8 CA :: 45.6 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.46 HA2 :: 4.16 HA3 :: 3.8 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.6 Ave N Shift Values>> N :: 109.67(3.87) 1.R86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 R 0.44 C Shift Assignments>> C :: 175.1 CA :: 53.5 CB :: 30.8 CG :: 25.9 CD :: 41.6 CZ :: 160.2 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.06 HA :: 4.4 HB2 :: 1.91 HB3 :: 1.79 HG2 :: 1.85 HG3 :: 1.51 HD2 :: 3.63 HD3 :: 3.16 HE :: 6.78 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.8 NE :: 83.2 NH1 :: 72.8 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.K87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.35 R 0.27 C Shift Assignments>> C :: 175.6 CA :: 56.7 CB :: 31.8 CG :: 26 CD :: 29.4 CE :: 42.3 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.62 HA :: 5 HB2 :: 2.39 HB3 :: 1.53 HG2 :: 1.73 HG3 :: 1.45 HD2 :: 1.75 HD3 :: 1.73 HE2 :: 3.13 HE3 :: 3.13 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.2 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 V 0.13 A 0.01 C Shift Assignments>> C :: 174.8 CA :: 58.1 CB :: 36.6 CG1 :: 21.7 CG2 :: 21.7 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.76 HA :: 6.05 HB :: 1.83 HG11 :: 0.76 HG12 :: 0.76 HG13 :: 0.76 HG21 :: 0.79 HG22 :: 0.79 HG23 :: 0.79 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.9 Ave N Shift Values>> N :: 121.14(4.54) 1.A89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 A 0.14 C 0.13 K 0.08 C Shift Assignments>> C :: 176.3 CA :: 52.4 CB :: 23.2 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.56 HA :: 4.97 HB1 :: 1.55 HB2 :: 1.55 HB3 :: 1.55 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.2 Ave N Shift Values>> N :: 123.23(3.54) 1.C90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 K 0.17 M 0.14 R 0.11 H 0.1 W 0.09 E 0.07 Q 0.07 V 0.03 C Shift Assignments>> C :: 172.2 CA :: 57.5 CB :: 32.3 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 10.08 HA :: 6.05 HB2 :: 2.91 HB3 :: 2.87 HG :: 1.48 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.1 Ave N Shift Values>> N :: 120.17(4.64) 1.F91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.48 G 0.38 C 0.13 C Shift Assignments>> C :: 173.9 CA :: 54.5 CB :: 43.8 CG :: 139.7 CD1 :: 132.6 CE1 :: 130.3 CZ :: 128.1 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.85 HA :: 5.55 HB2 :: 2.41 HB3 :: 2.31 HD1 :: 6.77 HE1 :: 7.07 HZ :: 6.85 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 114.4 Ave N Shift Values>> N :: 120.45(4.18) 1.G92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 170.2 CA :: 46.6 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.39 HA2 :: 3.88 HA3 :: 3.57 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.5 Ave N Shift Values>> N :: 109.67(3.87) 1.C93 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.16 C 0.15 E 0.13 K 0.11 H 0.1 Q 0.1 R 0.1 I 0.05 M 0.02 V 0.01 C Shift Assignments>> C :: 175.2 CA :: 58.7 CB :: 29.5 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 5.66(S) HA :: 5.11 HB2 :: 3.93 HB3 :: 2.6 HG :: 1.42 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 114.4 Ave N Shift Values>> N :: 120.17(4.64) 1.G94 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 173.7 CA :: 46.3 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.93 HA2 :: 5.23(S) HA3 :: 4.41 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.7 Ave N Shift Values>> N :: 109.67(3.87) 1.D95 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.44 G 0.44 C 0.1 C Shift Assignments>> C :: 176.3 CA :: 53.8 CB :: 43.9 CG :: 179.9 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.55 HA :: 5.67(S) HB2 :: 3.03 HB3 :: 3.03 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.5 Ave N Shift Values>> N :: 120.65(3.86) 1.S96 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.8 CA :: 60.2 CB :: 61.4 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.27 HA :: 3.83 HB2 :: 3.72 HB3 :: 2.68(S) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 123.8 Ave N Shift Values>> N :: 116.28(3.52) 1.S97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.9 CA :: 60.4 CB :: 62.7 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.15 HA :: 4.16 HB2 :: 3.62 HB3 :: 3.52 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.1 Ave N Shift Values>> N :: 116.28(3.52) 1.Y98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.51 C 0.47 HN Overlap>> 1.D136 1.D136 C Shift Assignments>> C :: 175 CA :: 58.3 CB :: 38.1 CG :: 130.4 CD1 :: 133.4 CE1 :: 116.1 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.69 HA :: 4.06 HB2 :: 3.06 HB3 :: 2.61 HD1 :: 6.98 HE1 :: 6 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.4 Ave N Shift Values>> N :: 120.52(4.2) 1.E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 E 0.47 Q 0.03 C Shift Assignments>> C :: 177.2 CA :: 58.7 CB :: 29.5 CG :: 35.2 CD :: 182.9 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.41 HA :: 3.78 HB2 :: 1.81 HB3 :: 1.52 HG2 :: 1.88 HG3 :: 1.67 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.3 Ave N Shift Values>> N :: 120.67(3.48) 1.Y100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 Y 0.18 H 0.03 HN Overlap>> 1.L112 1.L112 C Shift Assignments>> C :: 178.2 CA :: 55.4 CB :: 36 CG :: 131.4 CD1 :: 133.5 CE1 :: 118 CZ :: 161.5 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.49 HA :: 4.86 HB2 :: 3.24 HB3 :: 2.92 HD1 :: 7.21 HE1 :: 6.81 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.4 Ave N Shift Values>> N :: 120.52(4.2) 1.F101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.62 C 0.37 C Shift Assignments>> C :: 176.3 CA :: 57.1 CB :: 38.3 CG :: 138.4 CD1 :: 132 CE1 :: 131.2 CZ :: 130 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.44 HA :: 4.97 HB2 :: 3.29 HB3 :: 2.91 HD1 :: 7.16 HE1 :: 7.21 HZ :: 6.92 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 128 Ave N Shift Values>> N :: 120.45(4.18) 1.C102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.38 C 0.26 P 0.2 K 0.05 V 0.03 R 0.01 W 0.01 C Shift Assignments>> C :: 175.6 CA :: 62.3 CB :: 25.3 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.76 HA :: 3.64 HB2 :: 2.58 HB3 :: 1.76 HG :: 0.34 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 122.8 Ave N Shift Values>> N :: 120.17(4.64) 1.G103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.08 L 0.04 A 0.02 P 0.02 C Shift Assignments>> C :: 174.7 CA :: 47.4 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.33 HA2 :: 4.03 HA3 :: 3.37 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.4 Ave N Shift Values>> N :: 109.67(3.87) 1.A104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 L 0.14 C 0.11 M 0.11 V 0.04 T 0.02 HN Overlap>> 1.E118 1.E118 C Shift Assignments>> C :: 178.8 CA :: 55.2 CB :: 20.5 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.81 HA :: 3.64 HB1 :: 0.96 HB2 :: 0.96 HB3 :: 0.96 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.2 Ave N Shift Values>> N :: 123.23(3.54) 1.V105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 177.3 CA :: 66.6 CB :: 31.2 CG1 :: 21.5 CG2 :: 20.9 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.16 HA :: 3.18 HB :: 1.93 HG11 :: 0.62 HG12 :: 0.62 HG13 :: 0.62 HG21 :: 0.57 HG22 :: 0.57 HG23 :: 0.57 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 115.3 Ave N Shift Values>> N :: 121.14(4.54) 1.D106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.54 C 0.41 N 0.03 C Shift Assignments>> C :: 178.2 CA :: 57.4 CB :: 40.1 CG :: 179.4 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 6.81 HA :: 4.21 HB2 :: 2.8 HB3 :: 2.75 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.5 Ave N Shift Values>> N :: 120.65(3.86) 1.A107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.35 I 0.03 C 0.02 HN Overlap>> 1.D69 1.D69 C Shift Assignments>> C :: 181.1 CA :: 55 CB :: 17.7 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.64 HA :: 4.16 HB1 :: 1.31 HB2 :: 1.31 HB3 :: 1.31 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.6 Ave N Shift Values>> N :: 123.23(3.54) 1.I108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 177.5 CA :: 66.5 CB :: 38.7 CG1 :: 30.4 CG2 :: 19.8 CD1 :: 14.7 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.23 HA :: 3.84 HB :: 1.81 HG12 :: 2.01 HG13 :: 0.85 HG21 :: 1.06 HG22 :: 1.06 HG23 :: 1.06 HD11 :: 0.33 HD12 :: 0.33 HD13 :: 0.33 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.7 Ave N Shift Values>> N :: 121.46(4.28) 1.E109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 E 0.08 C Shift Assignments>> C :: 178.6 CA :: 61.3 CB :: 30.3 CG :: 38.9 CD :: 182.2 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.61 HA :: 3.81 HB2 :: 2.28 HB3 :: 1.91 HG2 :: 2.78 HG3 :: 2.17 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.1 Ave N Shift Values>> N :: 120.67(3.48) 1.E110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 E 0.48 C Shift Assignments>> C :: 178.5 CA :: 59.5 CB :: 29.5 CG :: 35.7 CD :: 183.6 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.16 HA :: 4 HB2 :: 2.2 HB3 :: 2.11 HG2 :: 2.31 HG3 :: 2.31 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117 Ave N Shift Values>> N :: 120.67(3.48) 1.K111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> C 0.49 K 0.3 R 0.19 G 0.01 C Shift Assignments>> C :: 178.8 CA :: 60.3 CB :: 32.3 CG :: 26.3 CD :: 29.4 CE :: 42.2 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.7 HA :: 4.13 HB2 :: 1.91 HB3 :: 1.81 HG2 :: 1.44 HG3 :: 1.15 HD2 :: 1.12 HD3 :: 0.89 HE2 :: 2.68 HE3 :: 2.48 HZ1 :: 7.46(U) HZ2 :: 7.46(U) HZ3 :: 7.46(U) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.3 NZ :: 32.8 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 L 0.24 R 0.12 HN Overlap>> 1.Y100 1.Y100 C Shift Assignments>> C :: 179.3 CA :: 58.2 CB :: 41.5 CG :: 26.7 CD1 :: 27.8 CD2 :: 22.7 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.52 HA :: 3.82 HB2 :: 2.13 HB3 :: 1.18 HG :: 1.9 HD11 :: 0.81 HD12 :: 0.81 HD13 :: 0.81 HD21 :: 0.85 HD22 :: 0.85 HD23 :: 0.85 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.3 Ave N Shift Values>> N :: 121.86(3.9) 1.K113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> C 0.49 K 0.4 R 0.09 C Shift Assignments>> C :: 181.3 CA :: 60.1 CB :: 32 CG :: 25.7 CD :: 29.4 CE :: 41.8 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.5 HA :: 4.09 HB2 :: 1.98 HB3 :: 1.98 HG2 :: 1.73 HG3 :: 1.5 HD2 :: 1.73 HD3 :: 1.73 HE2 :: 2.93 HE3 :: 2.93 HZ1 :: 7.71(U) HZ2 :: 7.71(U) HZ3 :: 7.71(U) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.8 NZ :: 32.7 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 C 0.39 D 0.09 HN Overlap>> 1.T18 1.F71 1.T18 1.F71 C Shift Assignments>> C :: 176.9 CA :: 55.8 CB :: 38.1 CG :: 176.2 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.02 HA :: 4.55 HB2 :: 3.06 HB3 :: 2.91 HD21 :: 7.6 HD22 :: 7.08 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120 ND2 :: 112.3 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.25 R 0.05 A 0.04 G 0.01 HN Overlap>> 1.L52 1.L52 C Shift Assignments>> C :: 176.8 CA :: 54.8 CB :: 42.1 CG :: 26.1 CD1 :: 26.4 CD2 :: 23.1 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.8 HA :: 4.39 HB2 :: 1.81 HB3 :: 1.71 HG :: 1.99 HD11 :: 0.64 HD12 :: 0.64 HD13 :: 0.64 HD21 :: 0.88 HD22 :: 0.88 HD23 :: 0.88 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.8 Ave N Shift Values>> N :: 121.86(3.9) 1.G116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 176.7 CA :: 45.8 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.77 HA2 :: 4.3 HA3 :: 3.92 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.7 Ave N Shift Values>> N :: 109.67(3.87) 1.A117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 L 0.08 C 0.04 M 0.02 C Shift Assignments>> C :: 175.5 CA :: 52.6 CB :: 20.8 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.12 HA :: 4.74 HB1 :: 1.31 HB2 :: 1.31 HB3 :: 1.31 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.8 Ave N Shift Values>> N :: 123.23(3.54) 1.E118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 C 0.38 Q 0.03 HN Overlap>> 1.A104 1.A104 C Shift Assignments>> C :: 174.3 CA :: 54.7 CB :: 30.1 CG :: 35.6 CD :: 182.9 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.81 HA :: 4.46 HB2 :: 1.9 HB3 :: 1.73 HG2 :: 2.12 HG3 :: 1.94 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.2 Ave N Shift Values>> N :: 120.67(3.48) 1.I119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 I 0.39 C Shift Assignments>> C :: 179.5 CA :: 59.8 CB :: 35.4 CG1 :: 27.8 CG2 :: 18.4 CD1 :: 12.06 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.36 HA :: 4.74 HB :: 1.95 HG12 :: 1.42 HG13 :: 1.25 HG21 :: 1.02 HG22 :: 1.02 HG23 :: 1.02 HD11 :: 0.85 HD12 :: 0.85 HD13 :: 0.85 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.6 Ave N Shift Values>> N :: 121.46(4.28) 1.V120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.29 HN Overlap>> 1.D62 1.D62 C Shift Assignments>> C :: 175.4 CA :: 63.7 CB :: 32.2 CG1 :: 22.6 CG2 :: 19.3 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.83 HA :: 4.11 HB :: 2.16 HG11 :: 1.02 HG12 :: 1.02 HG13 :: 1.02 HG21 :: 0.79 HG22 :: 0.79 HG23 :: 0.79 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.6 Ave N Shift Values>> N :: 121.14(4.54) 1.Q121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 Q 0.26 C Shift Assignments>> C :: 173.1 CA :: 54.3 CB :: 32.5 CG :: 32.9 CD :: 178.2 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.25 HA :: 4.46 HB2 :: 1.74 HB3 :: 1.74 HG2 :: 2.31 HG3 :: 1.83 HE21 :: 6.43 HE22 :: 6.15 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.4 NE2 :: 108.3 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.74 C 0.21 N 0.03 HN Overlap>> 1.D129 1.D129 C Shift Assignments>> C :: 177.1 CA :: 55.8 CB :: 41.1 CG :: 179.8 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.55 HA :: 4.55 HB2 :: 2.85 HB3 :: 2.7 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123 Ave N Shift Values>> N :: 120.65(3.86) 1.G123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 C 0.06 L 0.05 C Shift Assignments>> C :: 173.7 CA :: 47 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.84 HA2 :: 4.82 HA3 :: 3.33 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.1 Ave N Shift Values>> N :: 109.67(3.87) 1.L124 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.37 C 0.36 L 0.25 C Shift Assignments>> C :: 174.2 CA :: 54.2 CB :: 39.4 CG :: 26.4 CD1 :: 27 CD2 :: 21.6 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.77 HA :: 4 HB2 :: 0.46(S) HB3 :: -1.28(S) HG :: 1.01 HD11 :: 0.29 HD12 :: 0.29 HD13 :: 0.29 HD21 :: 0.56 HD22 :: 0.56 HD23 :: 0.56 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127 Ave N Shift Values>> N :: 121.86(3.9) 1.R125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.55 C 0.37 G 0.06 C Shift Assignments>> C :: 174.8 CA :: 54.7 CB :: 31.4 CG :: 28.6 CD :: 43.1 CZ :: 159.6 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.39 HA :: 4.59 HB2 :: 1.62 HB3 :: 1.41 HG2 :: 1.39 HG3 :: 0.84 HD2 :: 3.15 HD3 :: 2.77 HE :: 7.28 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 128.3 NE :: 85.5 NH1 :: 72.5 NH2 :: 71.2 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.I126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 HN Overlap>> 1.L5 1.L5 C Shift Assignments>> C :: 173.8 CA :: 59.4 CB :: 38.7 CG1 :: 27 CG2 :: 17 CD1 :: 12.7 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.11 HA :: 4.21 HB :: 2.16 HG12 :: 1.26 HG13 :: 1.13 HG21 :: 0.75 HG22 :: 0.75 HG23 :: 0.75 HD11 :: 0.75 HD12 :: 0.75 HD13 :: 0.75 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.7 Ave N Shift Values>> N :: 121.46(4.28) 1.D127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.86 C 0.09 G 0.02 N 0.01 C Shift Assignments>> C :: 176.6 CA :: 51.8 CB :: 41.9 CG :: 180.5 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.97 HA :: 5.11 HB2 :: 2.97 HB3 :: 2.58 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 128.1 Ave N Shift Values>> N :: 120.65(3.86) 1.G128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 174 CA :: 45.2 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.21 HA2 :: 4.11 HA3 :: 3.93 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.1 Ave N Shift Values>> N :: 109.67(3.87) 1.D129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.85 C 0.08 N 0.05 HN Overlap>> 1.D122 1.D122 C Shift Assignments>> C :: 177.2 CA :: 51.8 CB :: 41.5 CG :: 179.9 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.55 HA :: 4.97 HB2 :: 2.84 HB3 :: 2.67 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.9 Ave N Shift Values>> N :: 120.65(3.86) 1.P130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 177.6 CA :: 64.5 CB :: 32.6 CG :: 27.4 CD :: 50.4 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.21 HB2 :: 2.15 HB3 :: 2.1 HG2 :: 2.4 HG3 :: 1.75 HD2 :: 4.14 HD3 :: 3.78 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 142.8 Ave N Shift Values>> N :: 134.16(6.62) 1.R131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.47 G 0.02 C Shift Assignments>> C :: 179.4 CA :: 58.6 CB :: 28.4 CG :: 27.4 CD :: 42.6 CZ :: 159.4 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.08 HA :: 3.9 HB2 :: 1.65 HB3 :: 1.5 HG2 :: 0.81 HG3 :: 0.65 HD2 :: 3.05 HD3 :: 2.87 HE :: 7.16 HH11 :: 6.47 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.1 NE :: 86 NH1 :: 71.3 NH2 :: 70.3 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.18 C 0.01 C Shift Assignments>> C :: 176.9 CA :: 52.5 CB :: 18.3 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.22 HA :: 4.4 HB1 :: 1.51 HB2 :: 1.51 HB3 :: 1.51 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.2 Ave N Shift Values>> N :: 123.23(3.54) 1.A133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 M 0.03 C 0.01 C Shift Assignments>> C :: 177.5 CA :: 50.6 CB :: 19.5 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.48 HA :: 4.95 HB1 :: 1.52 HB2 :: 1.52 HB3 :: 1.52 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.5 Ave N Shift Values>> N :: 123.23(3.54) 1.R134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 R 0.42 G 0.07 C Shift Assignments>> C :: 177.8 CA :: 61.2 CB :: 30.1 CG :: 27.9 CD :: 43.1 CZ :: 159.6 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.23 HA :: 3.87 HB2 :: 2.1 HB3 :: 1.83 HG2 :: 1.74 HG3 :: 1.67 HD2 :: 3.29 HD3 :: 3.24 HE :: 7.26 HH11 :: 6.95 HH12 :: 6.56 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.9 NE :: 84.7 NH1 :: 72.3 NH2 :: 70.3 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.D135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 D 0.42 N 0.02 E 0.01 C Shift Assignments>> C :: 179.4 CA :: 57.8 CB :: 39.6 CG :: 179.5 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.77 HA :: 4.36 HB2 :: 2.65 HB3 :: 2.61 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.2 Ave N Shift Values>> N :: 120.65(3.86) 1.D136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.54 C 0.35 N 0.09 HN Overlap>> 1.Y98 1.Y98 C Shift Assignments>> C :: 179 CA :: 56.9 CB :: 39.9 CG :: 178.8 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.71 HA :: 4.5 HB2 :: 2.97 HB3 :: 2.62 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.3 Ave N Shift Values>> N :: 120.65(3.86) 1.I137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 C 0.12 C Shift Assignments>> C :: 177.5 CA :: 65.5 CB :: 38.6 CG1 :: 27.9 CG2 :: 19.2 CD1 :: 14.8 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.94 HA :: 3.6 HB :: 1.98 HG12 :: 1.97 HG13 :: 1.97 HG21 :: 0.7 HG22 :: 0.7 HG23 :: 0.7 HD11 :: 1.01 HD12 :: 1.01 HD13 :: 1.01 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.4 Ave N Shift Values>> N :: 121.46(4.28) 1.V138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 178.5 CA :: 67 CB :: 31.7 CG1 :: 22.3 CG2 :: 21.2 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.44 HA :: 3.33 HB :: 2.05 HG11 :: 0.94 HG12 :: 0.94 HG13 :: 0.94 HG21 :: 0.78 HG22 :: 0.78 HG23 :: 0.78 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.2 Ave N Shift Values>> N :: 121.14(4.54) 1.G139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 C 0.07 L 0.04 A 0.01 C Shift Assignments>> C :: 175.7 CA :: 47.2 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.13 HA2 :: 3.94 HA3 :: 3.78 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.8 Ave N Shift Values>> N :: 109.67(3.87) 1.W140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 W 0.2 C Shift Assignments>> C :: 178.3 CA :: 62.1 CB :: 29.6 CG :: 112.3 CD1 :: 128.1 CD2 :: 131.2 CE2 :: 138.8 CE3 :: 119 CZ2 :: 116 CZ3 :: 120.8 CH2 :: 123.5 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.98 HA :: 4.33 HB2 :: 3.43 HB3 :: 3.38 HD1 :: 7.49 HE1 :: 10.5 HE3 :: 7.03 HZ2 :: 7.59 HZ3 :: 6.58 HH2 :: 6.8 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 123.9 NE1 :: 129.4 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.A141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.44 C 0.02 I 0.02 C Shift Assignments>> C :: 178.8 CA :: 54.7 CB :: 18.3 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.56 HA :: 3.64 HB1 :: 1.39 HB2 :: 1.39 HB3 :: 1.39 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120 Ave N Shift Values>> N :: 123.23(3.54) 1.H142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 H 0.3 W 0.08 C Shift Assignments>> C :: 177.7 CA :: 59.3 CB :: 28.8 CG :: 131.8 CD2 :: 119.6 CE1 :: 134 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.18 HA :: 4.06 HB2 :: 3.41 HB3 :: 3.34 HD2 :: 7.09 HE1 :: 8.32 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 116.2 ND1 :: 177.7 NE2 :: 170.4 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 D 0.43 N 0.08 E 0.01 C Shift Assignments>> C :: 179.1 CA :: 57.1 CB :: 39.2 CG :: 179 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.05 HA :: 4.33 HB2 :: 2.7 HB3 :: 2.58 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.5 Ave N Shift Values>> N :: 120.65(3.86) 1.V144 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 176.8 CA :: 65.8 CB :: 30.9 CG1 :: 21.9 CG2 :: 20.8 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.08 HA :: 3.21 HB :: 1.32 HG11 :: -0.23(S) HG12 :: -0.23(S) HG13 :: -0.23(S) HG21 :: 0.37 HG22 :: 0.37 HG23 :: 0.37 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.3 Ave N Shift Values>> N :: 121.14(4.54) 1.R145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.42 G 0.11 K 0.01 L 0.01 C Shift Assignments>> C :: 178.3 CA :: 58.1 CB :: 29.7 CG :: 27.1 CD :: 43.8 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.32 HA :: 3.88 HB2 :: 1.84 HB3 :: 1.63 HG2 :: 1.64 HG3 :: 1.55 HD2 :: 3.04 HD3 :: 2.72 HE :: 8.07 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 115.6 NE :: 84.4 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.G146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174 CA :: 45.5 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.57 HA2 :: 4.14 HA3 :: 3.8 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.9 Ave N Shift Values>> N :: 109.67(3.87) 1.A147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.07 C 0.02 L 0.01 C Shift Assignments>> C :: 176.7 CA :: 52.4 CB :: 19.6 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.57 HA :: 4.38 HB1 :: 1.42 HB2 :: 1.42 HB3 :: 1.42 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.6 Ave N Shift Values>> N :: 123.23(3.54) 1.I148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.77 C 0.22 C Shift Assignments>> C :: 180.9 CA :: 62.5 CB :: 38.9 CG1 :: 26.6 CG2 :: 18.5 CD1 :: 13.8 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 6.97 HA :: 4.09 HB :: 1.99 HG12 :: 1.42 HG13 :: 1.33 HG21 :: 0.91 HG22 :: 0.91 HG23 :: 0.91 HD11 :: 0.85 HD12 :: 0.85 HD13 :: 0.85 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.5 Ave N Shift Values>> N :: 121.46(4.28) 2.FMN1 Overall Status: Residue type FMN not supported. ########################################################################### Overall Results: #Consistent: 126 #Clerical: 2 #Suspicious: 17 #Anomalous: 3 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 147 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 147 #Suspicious: 1 C Shift Results: #Consistent: 657 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 941 #Duplicate: 0 #Unknown: 6 #Suspicious: 20 #Anomalous: 1 N Shift Results: #Consistent: 172 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 2 Error Summary: 1.P2 N = 53.2(A), Expected = 134.16, Std = 6.6200, ChiSquare = 2.1598e-34 1.K3 H = 10.19(S), Expected = 8.19, Std = 0.6000, ChiSquare = 8.5812e-04 1.A4 HA = 6.04(S), Expected = 4.26, Std = 0.4400, ChiSquare = 5.2222e-05 1.L5 HB3 = -0.85(S), Expected = 1.52, Std = 0.3600, ChiSquare = 4.6002e-11 1.T11 H = 11.63(S), Expected = 8.24, Std = 0.6200, ChiSquare = 4.5580e-08 1.T11 N = 131.4(S), Expected = 115.42, Std = 4.7500, ChiSquare = 7.6763e-04 1.T15 H = 11.99(A), Expected = 8.24, Std = 0.6200, ChiSquare = 1.4630e-09 1.R24 NH2 = 70(A), Expected = 73.26, Std = 3.3200, ChiSquare = 3.2614e-01 1.D37 HA = 3.45(S), Expected = 4.59, Std = 0.3200, ChiSquare = 3.6734e-04 1.L54 HA = 5.97(S), Expected = 4.32, Std = 0.4700, ChiSquare = 4.4703e-04 1.G56 HA3 = 1.55(S), Expected = 3.90, Std = 0.3700, ChiSquare = 2.1343e-10 1.T59 H = 6.02(S), Expected = 8.24, Std = 0.6200, ChiSquare = 3.4275e-04 1.W60 HA = 2.9(S), Expected = 4.68, Std = 0.5300, ChiSquare = 7.8369e-04 1.W60 SRO Rule Break>> HA > HB2 : 0.994219653179191 1.Q68 H = 6(S), Expected = 8.22, Std = 0.5900, ChiSquare = 1.6808e-04 1.T81 HB = 2.53(S), Expected = 4.17, Std = 0.3300, ChiSquare = 6.7058e-07 1.C93 H = 5.66(S), Expected = 8.39, Std = 0.6700, ChiSquare = 4.6088e-05 1.G94 HA2 = 5.23(S), Expected = 3.97, Std = 0.3700, ChiSquare = 6.6066e-04 1.D95 HA = 5.67(S), Expected = 4.59, Std = 0.3200, ChiSquare = 7.3816e-04 1.S96 HB3 = 2.68(S), Expected = 3.85, Std = 0.2700, ChiSquare = 1.4687e-05 1.K111 HZ1 = 7.46(U) 1.K111 HZ2 = 7.46(U) 1.K111 HZ3 = 7.46(U) 1.K113 HZ1 = 7.71(U) 1.K113 HZ2 = 7.71(U) 1.K113 HZ3 = 7.71(U) 1.L124 HB2 = 0.46(S), Expected = 1.61, Std = 0.3400, ChiSquare = 7.1868e-04 1.L124 HB3 = -1.28(S), Expected = 1.52, Std = 0.3600, ChiSquare = 7.3810e-15 1.V144 HG11 = -0.23(S), Expected = 0.83, Std = 0.2600, ChiSquare = 4.5636e-05 1.V144 HG12 = -0.23(S), Expected = 0.83, Std = 0.2600, ChiSquare = 4.5636e-05 1.V144 HG13 = -0.23(S), Expected = 0.83, Std = 0.2600, ChiSquare = 4.5636e-05