Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.A1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.7 CA :: 57.4 CB :: 65.2 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.6 HB2 :: 4.27 HB3 :: 3.99 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) 1.L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.85 R 0.1 G 0.03 C Shift Assignments>> C :: 177.0 CA :: 58.5 CB :: 42.4 CG :: 26.7 CD1 :: 24.5 CD2 :: 25.6 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 :: 8.7 HA :: 3.7 HB2 :: 1.55 HB3 :: 1.53 HG :: 1.31 HD11 :: 0.57 HD12 :: 0.57 HD13 :: 0.57 HD21 :: 0.7 HD22 :: 0.7 HD23 :: 0.7 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 :: 123.6 Ave N Shift Values>> N :: 121.86(3.9) 1.Y4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.N89 1.T109 1.N89 1.T109 C Shift Assignments>> C :: 178.2 CA :: 60.9 CB :: 38.5 CD1 :: 133.0 CD2 :: 133.0 CE1 :: 118.5 CE2 :: 118.5 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 :: 7.6 HA :: 3.78 HB2 :: 2.85 HD1 :: 6.94 HD2 :: 6.94 HE1 :: 6.86 HE2 :: 6.86 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 :: 115.6 Ave N Shift Values>> N :: 120.52(4.2) 1.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.21 R 0.16 H 0.16 Q 0.14 K 0.14 I 0.08 M 0.04 V 0.03 C Shift Assignments>> C :: 179.8 CA :: 59.0 CB :: 29.8 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 :: 7.68 HA :: 3.94 HB2 :: 2.2 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 :: 118.5 Ave N Shift Values>> N :: 120.67(3.48) 1.K6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 V 0.16 M 0.15 R 0.12 Q 0.12 H 0.1 E 0.07 C Shift Assignments>> C :: 178.4 CA :: 58.9 CB :: 32.7 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 :: 8.25 HA :: 4.01 HB2 :: 1.7 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 :: 118.8 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 R 0.09 A 0.03 G 0.01 C Shift Assignments>> C :: 176.7 CA :: 55.1 CB :: 42.0 CG :: 27.3 CD1 :: 25.6 CD2 :: 23.4 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 :: 7.72 HA :: 4.2 HB2 :: 1.51 HB3 :: 1.26 HG :: 1.31 HD11 :: 0.42 HD12 :: 0.42 HD13 :: 0.42 HD21 :: 0.63 HD22 :: 0.63 HD23 :: 0.63 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 :: 115.2 Ave N Shift Values>> N :: 121.86(3.9) 1.G8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 175.4 CA :: 45.5 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.29 HA2 :: 3.71 HA3 :: 4.29 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.0 Ave N Shift Values>> N :: 109.67(3.87) 1.G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.36 L 0.29 R 0.22 F 0.04 D 0.03 Y 0.02 C Shift Assignments>> C :: 173.4 CA :: 44.2 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.23 HA2 :: 3.22 HA3 :: 4.3 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.2 Ave N Shift Values>> N :: 109.67(3.87) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.33 I 0.06 V 0.01 C Shift Assignments>> C :: 179.3 CA :: 55.9 CB :: 18.6 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.52 HA :: 4.01 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 :: 122.3 Ave N Shift Values>> N :: 123.23(3.54) 1.A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.38 I 0.03 C Shift Assignments>> C :: 180.6 CA :: 54.9 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 :: 8.49 HA :: 4.22 HB1 :: 1.45 HB2 :: 1.45 HB3 :: 1.45 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.2 Ave N Shift Values>> N :: 123.23(3.54) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 M 0.34 I 0.01 C Shift Assignments>> C :: 180.5 CA :: 54.8 CB :: 19.0 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.47 HA :: 4.16 HB1 :: 1.38 HB2 :: 1.38 HB3 :: 1.38 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.3 Ave N Shift Values>> N :: 123.23(3.54) 1.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.4 CA :: 66.9 CB :: 31.7 CG1 :: 21.2 CG2 :: 24.0 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 :: 7.91 HA :: 3.44 HB :: 2.12 HG11 :: 0.88 HG12 :: 0.88 HG13 :: 0.88 HG21 :: 0.64 HG22 :: 0.64 HG23 :: 0.64 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 :: 119.2 Ave N Shift Values>> N :: 121.14(4.54) 1.D14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.34 Y 0.33 I 0.11 L 0.08 D 0.07 K 0.02 N 0.01 C Shift Assignments>> C :: 179.5 CA :: 58.0 CB :: 40.0 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 :: 8.37 HA :: 4.48 HB2 :: 2.8 HB3 :: 2.76 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 :: 119.2 Ave N Shift Values>> N :: 120.65(3.86) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 R 0.03 G 0.02 HN Overlap>> 1.I104 1.I104 C Shift Assignments>> C :: 179.1 CA :: 57.9 CB :: 42.3 CG :: 27.1 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 :: 7.74 HA :: 4.3 HB2 :: 1.83 HB3 :: 1.79 HG :: 1.73 HD11 :: 0.99 HD12 :: 0.99 HD13 :: 0.99 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 :: 120.3 Ave N Shift Values>> N :: 121.86(3.9) 1.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.35 I 0.05 C Shift Assignments>> C :: 179.7 CA :: 55.5 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 :: 8.25 HA :: 4.04 HB1 :: 1.45 HB2 :: 1.45 HB3 :: 1.45 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.3 Ave N Shift Values>> N :: 123.23(3.54) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.9 CA :: 67.9 CB :: 31.7 CG1 :: 22.2 CG2 :: 24.5 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 :: 9.16 HA :: 3.94 HB :: 2.55 HG11 :: 1.39 HG12 :: 1.39 HG13 :: 1.39 HG21 :: 1.42 HG22 :: 1.42 HG23 :: 1.42 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 :: 118.8 Ave N Shift Values>> N :: 121.14(4.54) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.29 K 0.1 Q 0.06 M 0.03 C Shift Assignments>> C :: 180.0 CA :: 60.2 CB :: 29.7 CG :: 36.0 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 :: 4.25 HB2 :: 2.37 HB3 :: 2.37 HG2 :: 2.53 HG3 :: 2.51 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 :: 119.8 Ave N Shift Values>> N :: 120.67(3.48) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 V 0.17 R 0.15 M 0.14 H 0.12 E 0.11 Q 0.06 HN Overlap>> 1.S100 1.S100 C Shift Assignments>> C :: 179.1 CA :: 59.1 CB :: 32.2 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 :: 8.37 HA :: 4.29 HB2 :: 2.17 HB3 :: 1.94 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 :: 120.2 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 177.4 CA :: 58.2 CB :: 40.0 CD1 :: 130.8 CD2 :: 130.8 CE1 :: 132.0 CE2 :: 132.0 CZ :: 129.8 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 :: 8.99 HA :: 4.79 HB2 :: 3.63 HB3 :: 3.48 HD1 :: 7.29 HD2 :: 7.29 HE1 :: 7.46 HE2 :: 7.46 HZ :: 5.97 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 :: 122.5 Ave N Shift Values>> N :: 120.45(4.18) 1.Y21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.5 CA :: 60.8 CB :: 38.0 CD1 :: 134.5 CD2 :: 134.5 CE1 :: 118.7 CE2 :: 118.7 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 :: 9.5 HA :: 4.3 HB2 :: 3.47 HB3 :: 3.73 HD1 :: 7.51 HD2 :: 7.51 HE1 :: 7.07 HE2 :: 7.07 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 :: 119.5 Ave N Shift Values>> N :: 120.52(4.2) 1.G22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 176.7 CA :: 46.8 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.11 HA2 :: 3.49 HA3 :: 3.97 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.K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.35 K 0.17 M 0.1 R 0.09 Q 0.08 H 0.07 E 0.06 P 0.04 C Shift Assignments>> C :: 179.5 CA :: 60.1 CB :: 32.7 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 :: 8.12 HA :: 4.01 HB2 :: 1.99 HB3 :: 1.93 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 :: 122.4 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.1 CA :: 67.0 CB :: 31.0 CG1 :: 21.9 CG2 :: 25.0 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 :: 7.95 HA :: 3.12 HB :: 1.83 HG11 :: 0.26 HG12 :: 0.26 HG13 :: 0.26 HG21 :: 0.36 HG22 :: 0.36 HG23 :: 0.36 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 :: 119.0 Ave N Shift Values>> N :: 121.14(4.54) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 A 0.04 G 0.01 C Shift Assignments>> C :: 178.4 CA :: 56.9 CB :: 41.9 CD1 :: 22.6 CD2 :: 22.5 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 :: 7.44 HA :: 3.93 HB2 :: 1.46 HB3 :: 1.46 HD11 :: 0.88 HD12 :: 0.88 HD13 :: 0.88 HD21 :: 0.94 HD22 :: 0.94 HD23 :: 0.94 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 :: 116.7 Ave N Shift Values>> N :: 121.86(3.9) 1.A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.07 C Shift Assignments>> C :: 176.7 CA :: 51.8 CB :: 19.2 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.13 HA :: 4.32 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 :: 118.8 Ave N Shift Values>> N :: 123.23(3.54) 1.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.2 N 0.19 F 0.07 K 0.06 Y 0.05 C Shift Assignments>> C :: 176.4 CA :: 53.2 CB :: 41.0 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 :: 7.26 HA :: 4.54 HB2 :: 2.63 HB3 :: 3.02 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 :: 119.5 Ave N Shift Values>> N :: 120.65(3.86) 1.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.19 K 0.19 Q 0.18 H 0.16 R 0.14 I 0.05 M 0.04 C Shift Assignments>> C :: 177.5 CA :: 57.9 CB :: 29.3 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 :: 8.99 HA :: 4.07 HB2 :: 2.1 HB3 :: 2 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 :: 128.3 Ave N Shift Values>> N :: 120.67(3.48) 1.R29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.19 E 0.17 H 0.16 K 0.14 M 0.12 Q 0.09 V 0.08 I 0.01 C Shift Assignments>> C :: 178.2 CA :: 58.6 CB :: 31.3 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 :: 8.64 HA :: 4.06 HB2 :: 1.73 HB3 :: 1.46 HE :: 8.24 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 :: 117.3 NE :: 82.6 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.V30 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> V 0.93 I 0.05 A 0.01 C Shift Assignments>> C :: 175.4 CA :: 59.8 CB :: 35.6 CG1 :: 23.0 CG2 :: 19.6 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 :: 7.05 HA :: 4.52 HB :: 1.71 HG11 :: 0.52 HG12 :: 0.52 HG13 :: 0.52 HG21 :: 0.51 HG22 :: 0.51 HG23 :: 0.51 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 :: 104.2(S) Ave N Shift Values>> N :: 121.14(4.54) 1.N31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 M 0.15 Y 0.12 K 0.07 F 0.06 Q 0.04 I 0.03 N 0.03 V 0.01 C Shift Assignments>> C :: 178.9 CA :: 56.8 CB :: 36.1 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 :: 8.75 HA :: 3.97 HB2 :: 3.26 HB3 :: 2.89 HD21 :: 7.1 HD22 :: 6.64 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 :: 122.8 ND2 :: 107.3 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.35 L 0.32 R 0.26 G 0.05 C Shift Assignments>> C :: 177.2 CA :: 57.6 CB :: 28.3 CG :: 25.5 CD :: 43.1 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 :: 8.01 HA :: 3.91 HB2 :: 1.38 HB3 :: 1.38 HG2 :: 0.58(S) HG3 :: 0.02(S) HD2 :: 2.66 HD3 :: 2.56 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 :: 120.3 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.F33 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 174.3 CA :: 59.7 CB :: 37.5 CD1 :: 130.1 CD2 :: 130.1 CE1 :: 131.3 CE2 :: 131.3 CZ :: 129.5 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 :: 6.96 HA :: 3.49 HB2 :: 1.31(S) HB3 :: 1.35(S) HD1 :: 6.46 HD2 :: 6.46 HE1 :: 6.35 HE2 :: 6.35 HZ :: 5.81 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 :: 116.5 Ave N Shift Values>> N :: 120.45(4.18) 1.F34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.97 G 0.02 C Shift Assignments>> C :: 176.3 CA :: 58.5 CB :: 41.7 CD1 :: 133.7 CD2 :: 133.7 CE1 :: 131.5 CE2 :: 131.5 CZ :: 129.7 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 :: 7.38 HA :: 4.65 HB2 :: 2.56 HB3 :: 3.71 HD1 :: 7.64 HD2 :: 7.64 HE1 :: 8.06 HE2 :: 8.06 HZ :: 5.66 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 :: 113.3 Ave N Shift Values>> N :: 120.45(4.18) 1.V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.7 CA :: 64.8 CB :: 31.8 CG1 :: 19.6 CG2 :: 20.5 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 :: 7.32 HA :: 3.95 HB :: 2.04 HG11 :: 0.85 HG12 :: 0.85 HG13 :: 0.85 HG21 :: 0.9 HG22 :: 0.9 HG23 :: 0.9 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 :: 117.3 Ave N Shift Values>> N :: 121.14(4.54) 1.N36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 D 0.16 Y 0.08 F 0.07 L 0.04 M 0.01 E 0.01 C Shift Assignments>> C :: 174.7 CA :: 53.2 CB :: 38.5 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 :: 8.38 HA :: 4.94 HB2 :: 2.59 HB3 :: 2.94 HD21 :: 7.52 HD22 :: 6.79 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 :: 117.9 ND2 :: 114.1 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.4 CA :: 61.9 CB :: 71.0 CG2 :: 22.8 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 :: 7.89 HA :: 4.61 HB :: 4.6 HG21 :: 1.83 HG22 :: 1.83 HG23 :: 1.83 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 :: 116.7 Ave N Shift Values>> N :: 115.42(4.75) 1.D38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.2 K 0.17 R 0.15 F 0.07 Y 0.05 N 0.02 C Shift Assignments>> C :: 176.9 CA :: 54.9 CB :: 42.4 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 :: 9 HA :: 4.7 HB2 :: 3.06 HB3 :: 2.88 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 :: 126.4 Ave N Shift Values>> N :: 120.65(3.86) 1.M39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.98 I 0.01 C Shift Assignments>> C :: 178.1 CA :: 60.3 CB :: 32.7 CG :: 31.6 CE :: 16.8 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.04 HA :: 4.41 HB2 :: 2.32 HB3 :: 2.47 HG2 :: 2.83 HG3 :: 2.66 HE1 :: 2.27 HE2 :: 2.27 HE3 :: 2.27 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 123.3 Ave N Shift Values>> N :: 120.09(3.57) 1.A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.29 I 0.06 C Shift Assignments>> C :: 181.8 CA :: 55.8 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 :: 8.76 HA :: 4.4 HB1 :: 1.71 HB2 :: 1.71 HB3 :: 1.71 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.1 Ave N Shift Values>> N :: 123.23(3.54) 1.K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 R 0.29 Q 0.16 P 0.05 I 0.02 V 0.01 C Shift Assignments>> C :: 181.0 CA :: 59.6 CB :: 33.0 CG :: 26.2 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 :: 8.36 HA :: 4.91 HB2 :: 2.43 HB3 :: 2.54 HG2 :: 2.08 HG3 :: 1.96 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 :: 120.9 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q42 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.57 E 0.36 M 0.02 K 0.01 C Shift Assignments>> C :: 179.9 CA :: 61.8 CB :: 30.5 CG :: 36.6 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 :: 9.27 HA :: 5.83(S) HB2 :: 3.17(S) HB3 :: 3.17(S) HG2 :: 2.94 HG3 :: 3.28(S) HE21 :: 7.6 HE22 :: 6.67 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 :: 122.7 NE2 :: 111.3 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.52 K 0.44 G 0.02 HN Overlap>> 1.Q44 1.Q44 C Shift Assignments>> C :: 179.6 CA :: 61.8 CB :: 32.4 CG :: 27.4 CD :: 29.7 CE :: 41.5 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 :: 9.05 HA :: 4.55 HB2 :: 2.1 HB3 :: 2.18 HG2 :: 1.5 HG3 :: 1.17 HD2 :: 1.66 HD3 :: 1.66 HE2 :: 2.51 HE3 :: 2.51 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 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q44 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.38 Q 0.36 E 0.1 R 0.05 I 0.05 M 0.02 HN Overlap>> 1.K43 1.K43 C Shift Assignments>> C :: 179.7 CA :: 59.5 CB :: 28.9 CG :: 33.9 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 :: 9.09 HA :: 4.82 HB2 :: 2.96(S) HB3 :: 3.15(S) HG2 :: 3.15 HG3 :: 2.96 HE21 :: 8.31 HE22 :: 7.14 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 :: 119.8 NE2 :: 116.8 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H45 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Anomalous N Shifts: Anomalous PRTL>> V 0.99 C Shift Assignments>> C :: 181.4 CA :: 82.5(A) CB :: 23.6 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 :: 11.04(S) HA :: 9.41(A) HB2 :: 11.84(A) HB3 :: 9.2(A) HD1 :: 13.04 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 :: 122.2 ND1 :: 142.5(A) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) SRO Rule Breaks>> (H > HB2 : 0.9986) (HA > HB2 : 0.9926) 1.Q46 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> Q 0.38 K 0.38 E 0.1 M 0.04 R 0.04 I 0.02 C Shift Assignments>> C :: 179.9 CA :: 58.9 CB :: 29.3 CG :: 33.8 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 :: 10.66(S) HA :: 6.96(A) HB2 :: 3.35(S) HB3 :: 2.85 HG2 :: 2.7 HG3 :: 1.78 HE21 :: 8.45 HE22 :: 5.7 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 :: 124.6 NE2 :: 111.9 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) SRO Rule Breaks>> (HE22 > HA : 0.9976) 1.K47 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> C :: 180.2 CA :: 61.2 CB :: 32.7 CG :: 25.7 CD :: 30.1 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 :: 9.82 HA :: 4.58 HB2 :: 2.45 HB3 :: 2.82(S) HG2 :: 1.8 HG3 :: 1.54 HD2 :: 2 HD3 :: 2 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 :: 123.7 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D48 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.35 Y 0.31 I 0.14 L 0.07 K 0.05 D 0.04 C Shift Assignments>> C :: 177.6 CA :: 58.8 CB :: 40.4 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 :: 10.5(S) HA :: 4.56 HB2 :: 3.93(S) HB3 :: 1.7(S) 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 :: 126.7 Ave N Shift Values>> N :: 120.65(3.86) 1.F49 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> F 0.72 Y 0.27 C Shift Assignments>> C :: 177.1 CA :: 61.2 CB :: 40.4 CE1 :: 129.7 CE2 :: 129.7 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 :: 10.57 HA :: 2.74(S) HB2 :: 4.01 HB3 :: 4.35(S) HD1 :: 3.76(A) HD2 :: 3.76(A) HE1 :: 4.54(S) HE2 :: 4.54(S) HZ :: 5.55(S) 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 :: 122.5 Ave N Shift Values>> N :: 120.45(4.18) SRO Rule Breaks>> (HA > HB2 : 0.9952) (HA > HB3 : 0.9955) (HD1 > HB2 : 0.9990) (HD2 > HB2 : 0.9994) (HD1 > HB3 : 0.9995) (HD2 > HB3 : 0.9994) 1.M50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.98 C Shift Assignments>> C :: 176.8 CA :: 59.8 CB :: 33.7 CG :: 32.7 CE :: 16.9 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.68 HA :: 3.86 HB2 :: 2.36 HB3 :: 2.54 HG2 :: 2.71 HG3 :: 2.38 HE1 :: 1.98 HE2 :: 1.98 HE3 :: 1.98 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 117.1 Ave N Shift Values>> N :: 120.09(3.57) 1.T51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.8 CA :: 67.5 CB :: 68.6 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 :: 9.04 HA :: 3.76 HB :: 4.63 HG21 :: 1.34 HG22 :: 1.34 HG23 :: 1.34 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 :: 116.7 Ave N Shift Values>> N :: 115.42(4.75) 1.Y52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.3 CA :: 62.0 CB :: 38.0 CD1 :: 132.3 CD2 :: 132.3 CE1 :: 118.3 CE2 :: 118.3 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 :: 8.02 HA :: 3.29 HB2 :: 1.94 HB3 :: 2.36 HD1 :: 6.09 HD2 :: 6.09 HE1 :: 6.47 HE2 :: 6.47 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 :: 123.4 Ave N Shift Values>> N :: 120.52(4.2) 1.A53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.26 L 0.01 I 0.01 C Shift Assignments>> C :: 175.1 CA :: 54.4 CB :: 19.2 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.73 HA :: 3.47 HB1 :: 1.11 HB2 :: 1.11 HB3 :: 1.11 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.2 Ave N Shift Values>> N :: 123.23(3.54) 1.F54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 176.3 CA :: 57.0 CB :: 38.3 CD1 :: 132.0 CD2 :: 132.0 CE1 :: 130.3 CE2 :: 130.3 CZ :: 128.6 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 :: 7.5 HA :: 4.41 HB2 :: 2.9 HB3 :: 3.28 HD1 :: 7.26 HD2 :: 7.26 HE1 :: 7 HE2 :: 7 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 :: 110.4 Ave N Shift Values>> N :: 120.45(4.18) 1.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.09 C Shift Assignments>> C :: 175.5 CA :: 45.4 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.98 HA2 :: 3.54 HA3 :: 4.29 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.6 Ave N Shift Values>> N :: 109.67(3.87) 1.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 175.4 CA :: 46.7 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.35 HA2 :: 4.14 HA3 :: 3.17 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.8 Ave N Shift Values>> N :: 109.67(3.87) 1.T57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.1 CA :: 62.9 CB :: 68.5 CG2 :: 20.8 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 :: 7.51 HA :: 3.72 HB :: 3.96 HG21 :: 0.41 HG22 :: 0.41 HG23 :: 0.41 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 :: 111.1 Ave N Shift Values>> N :: 115.42(4.75) 1.D58 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.41 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 :: 121.5 Ave N Shift Values>> N :: 120.65(3.86) 1.R59 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.04 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 :: 116.7 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.F60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> CA :: 54.0 CB :: 39.0 CD1 :: 132.2 CD2 :: 132.2 CE1 :: 130.6 CE2 :: 130.6 CZ :: 129.4 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 :: 7.41 HA :: 4.41 HB2 :: 2.45 HB3 :: 2.39 HD1 :: 6.85 HD2 :: 6.85 HE1 :: 6.52 HE2 :: 6.52 HZ :: 6.41 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 :: 117.9 Ave N Shift Values>> N :: 120.45(4.18) 1.P61 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G62 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.94 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.9 Ave N Shift Values>> N :: 109.67(3.87) 1.R63 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S64 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M65 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> M 0.79 A 0.18 I 0.01 C Shift Assignments>> C :: 181.5 CA :: 58.3 CB :: 36.9 CG :: 33.8 CE :: 18.5 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.87 HA :: 5.64 HB2 :: 3.66(S) HB3 :: 4.09(A) HG2 :: 2.49 HG3 :: 3.43 HE1 :: -0.09(S) HE2 :: -0.09(S) HE3 :: -0.09(S) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 122.7 Ave N Shift Values>> N :: 120.09(3.57) 1.R66 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.53 M 0.14 R 0.14 Q 0.13 P 0.03 C Shift Assignments>> C :: 180.1 CA :: 60.0 CB :: 31.8 CG :: 29.4 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 :: 9.63 HA :: 6.34(S) HB2 :: 2.57 HB3 :: 2.6 HG2 :: 2.64(S) HG3 :: 2.55(S) HD2 :: 3.75 HD3 :: 3.64 HE :: 8.02 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 :: 125.6 NE :: 84.7 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.A67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.39 I 0.04 C Shift Assignments>> C :: 181.0 CA :: 55.5 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 :: 8.04 HA :: 4.66 HB1 :: 1.62 HB2 :: 1.62 HB3 :: 1.62 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.5 Ave N Shift Values>> N :: 123.23(3.54) 1.A68 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.56 A 0.42 C Shift Assignments>> C :: 178.7 CA :: 53.4 CB :: 16.2 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.86 HA :: 3.32 HB1 :: -0.81(S) HB2 :: -0.81(S) HB3 :: -0.81(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.7 Ave N Shift Values>> N :: 123.23(3.54) 1.H69 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Anomalous N Shifts: Anomalous PRTL>> T 0.94 V 0.04 C Shift Assignments>> C :: 174.9 CA :: 71.7(A) CB :: 24.5 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 :: 9.68 HA :: 6.42(S) HB2 :: 9.92(A) HB3 :: 9.45(A) HD1 :: 15.97 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 :: 113.4 ND1 :: 135.8(A) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) SRO Rule Breaks>> (H > HB2 : 0.9986) (HA > HB2 : 0.9926) (HA > HB3 : 0.9952) 1.Q70 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.36 Q 0.22 P 0.19 I 0.08 R 0.06 E 0.03 M 0.02 C Shift Assignments>> C :: 178.1 CA :: 61.4 CB :: 28.9 CG :: 33.3 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 :: 8.54 HA :: 4.94 HB2 :: 3.07(S) HB3 :: 2.5 HG2 :: 2.78 HG3 :: 2.65 HE21 :: 7.99 HE22 :: 6.88 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 :: 124.7 NE2 :: 111.8 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 K 0.23 Y 0.18 L 0.15 D 0.08 I 0.04 R 0.03 C Shift Assignments>> C :: 178.9 CA :: 57.8 CB :: 41.4 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 :: 9.07 HA :: 4.55 HB2 :: 2.61 HB3 :: 2.48 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 :: 119.6 Ave N Shift Values>> N :: 120.65(3.86) 1.L72 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.64 R 0.23 G 0.07 A 0.03 C Shift Assignments>> C :: 180.5 CA :: 56.7 CB :: 42.9 CG :: 25.7 CD1 :: 26.9 CD2 :: 22.5 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 :: 7.76 HA :: 4.02 HB2 :: 2.53 HB3 :: 0.97 HG :: 1.62 HD11 :: -0.8(S) HD12 :: -0.8(S) HD13 :: -0.8(S) HD21 :: 0.11 HD22 :: 0.11 HD23 :: 0.11 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 :: 117.8 Ave N Shift Values>> N :: 121.86(3.9) 1.V73 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.7 CA :: 66.7 CB :: 33.2 CG1 :: 21.8 CG2 :: 24.6 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 :: 8.2 HA :: 4 HB :: 2.82 HG11 :: 1.43 HG12 :: 1.43 HG13 :: 1.43 HG21 :: 2.02(S) HG22 :: 2.02(S) HG23 :: 2.02(S) 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 :: 120.7 Ave N Shift Values>> N :: 121.14(4.54) 1.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.19 R 0.18 H 0.15 V 0.12 K 0.1 Q 0.09 M 0.07 I 0.05 P 0.01 C Shift Assignments>> C :: 178.5 CA :: 59.5 CB :: 30.8 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 :: 8.72 HA :: 4.23 HB2 :: 2.13 HB3 :: 2.13 HG2 :: 2.66 HG3 :: 2.46 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 :: 117.5 Ave N Shift Values>> N :: 120.67(3.48) 1.N75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.23 L 0.18 F 0.1 Y 0.08 K 0.03 C Shift Assignments>> C :: 176.0 CA :: 53.8 CB :: 40.5 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 :: 8.6 HA :: 5.11 HB2 :: 2.73 HB3 :: 2.78 HD21 :: 7.93 HD22 :: 7.09 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 :: 112.1 ND2 :: 116.2 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 L 0.03 M 0.01 C Shift Assignments>> C :: 177.6 CA :: 51.3 CB :: 20.6 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.38 HA :: 4.76 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 :: 121.1 Ave N Shift Values>> N :: 123.23(3.54) 1.G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 174.8 CA :: 47.0 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.76 HA2 :: 3.96 HA3 :: 3.87 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.3 Ave N Shift Values>> N :: 109.67(3.87) 1.L78 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.92 R 0.06 C Shift Assignments>> C :: 176.9 CA :: 56.3 CB :: 41.4 CG :: 26.6 CD1 :: 25.7 CD2 :: 26.5 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 :: 7.46 HA :: 4.11 HB2 :: 0.53 HB3 :: 1.59 HG :: 1.39 HD11 :: -0.69(S) HD12 :: -0.69(S) HD13 :: -0.69(S) HD21 :: 1.08 HD22 :: 1.08 HD23 :: 1.08 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 :: 120.7 Ave N Shift Values>> N :: 121.86(3.9) 1.T79 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.5 CA :: 60.9 CB :: 69.9 CG2 :: 20.3 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 :: 11.07(S) HA :: 4.9 HB :: 4.36 HG21 :: 1.4 HG22 :: 1.4 HG23 :: 1.4 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 :: 126.5 Ave N Shift Values>> N :: 115.42(4.75) 1.D80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.23 K 0.21 L 0.09 I 0.09 D 0.03 R 0.03 C Shift Assignments>> C :: 177.2 CA :: 59.0 CB :: 41.4 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 :: 8.9 HA :: 3.95 HB2 :: 2.55 HB3 :: 2.38 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.V81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.9 CA :: 64.4 CB :: 30.8 CG1 :: 18.8 CG2 :: 20.7 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 :: 7.85 HA :: 3.8 HB :: 1.72 HG11 :: 0.35 HG12 :: 0.35 HG13 :: 0.35 HG21 :: 0.61 HG22 :: 0.61 HG23 :: 0.61 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 :: 114.4 Ave N Shift Values>> N :: 121.14(4.54) 1.H82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 C Shift Assignments>> C :: 176.7 CA :: 59.4 CB :: 32.2 CD2 :: 116.5 CE1 :: 139.2 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 :: 6.67 HA :: 3.6 HB2 :: 2.78 HB3 :: 2.19 HD2 :: 7.23 HE1 :: 7.79 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 :: 121.2 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F83 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.51 Y 0.48 C Shift Assignments>> C :: 176.8 CA :: 60.6 CB :: 40.0 CD1 :: 132.1 CD2 :: 132.1 CE1 :: 130.7 CE2 :: 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 :: 7.08 HA :: 2.72(S) HB2 :: 2.28 HB3 :: 3.31 HD1 :: 6.88 HD2 :: 6.88 HE1 :: 7.08 HE2 :: 7.08 HZ :: 7.46 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 :: 119.6 Ave N Shift Values>> N :: 120.45(4.18) SRO Rule Breaks>> (HA > HB3 : 0.9955) 1.D84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.32 F 0.31 D 0.12 L 0.09 I 0.07 N 0.05 C Shift Assignments>> C :: 178.3 CA :: 57.1 CB :: 39.5 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 :: 8.52 HA :: 4.16 HB2 :: 2.53 HB3 :: 2.45 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 :: 117.5 Ave N Shift Values>> N :: 120.65(3.86) 1.A85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.34 I 0.03 C Shift Assignments>> C :: 179.3 CA :: 55.1 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 :: 7.56 HA :: 3.82 HB1 :: 1.08 HB2 :: 1.08 HB3 :: 1.08 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.9 Ave N Shift Values>> N :: 123.23(3.54) 1.I86 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.1 CA :: 65.6 CB :: 36.1 CG1 :: 28.3 CG2 :: 15.9 CD1 :: 11.9 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 :: 7.08 HA :: 3.19 HB :: 0.23(S) HG12 :: -0.42(S) HG13 :: 0.23 HG21 :: -1.01(S) HG22 :: -1.01(S) HG23 :: -1.01(S) HD11 :: -1.23(A) HD12 :: -1.23(A) HD13 :: -1.23(A) 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 :: 116.2 Ave N Shift Values>> N :: 121.46(4.28) 1.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.73 A 0.19 I 0.06 C Shift Assignments>> C :: 178.8 CA :: 55.7 CB :: 17.2 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.93 HA :: 3.48 HB1 :: 1.15 HB2 :: 1.15 HB3 :: 1.15 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.5 Ave N Shift Values>> N :: 123.23(3.54) 1.E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.21 R 0.16 H 0.15 Q 0.14 K 0.13 I 0.09 M 0.04 V 0.04 HN Overlap>> 1.H116 1.H116 C Shift Assignments>> C :: 178.6 CA :: 59.2 CB :: 29.8 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 :: 8.14 HA :: 3.74 HB2 :: 2.04 HB3 :: 1.97 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 :: 119.2 Ave N Shift Values>> N :: 120.67(3.48) 1.N89 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.32 F 0.29 D 0.11 N 0.09 L 0.07 I 0.07 E 0.01 M 0.01 HN Overlap>> 1.T109 1.Y4 1.T109 1.Y4 C Shift Assignments>> C :: 178.0 CA :: 56.7 CB :: 39.0 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 :: 7.6 HA :: 4.4 HB2 :: 2.7 HB3 :: 2.33 HD21 :: 5.36(S) HD22 :: 9.19(S) 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 :: 115.6 ND2 :: 113.6 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 A 0.03 C Shift Assignments>> C :: 177.1 CA :: 58.0 CB :: 39.0 CG :: 26.7 CD1 :: 22.9 CD2 :: 26.8 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 :: 7.69 HA :: 3.34 HB2 :: 0.63 HB3 :: 1.86 HG :: 0.57 HD11 :: 0.34 HD12 :: 0.34 HD13 :: 0.34 HD21 :: 1.09 HD22 :: 1.09 HD23 :: 1.09 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 :: 125.1 Ave N Shift Values>> N :: 121.86(3.9) 1.V91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.9 CA :: 68.4 CB :: 31.3 CG1 :: 20.7 CG2 :: 23.0 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 :: 7.84 HA :: 3.12 HB :: 2.06 HG11 :: 0.77 HG12 :: 0.77 HG13 :: 0.77 HG21 :: 0.77 HG22 :: 0.77 HG23 :: 0.77 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 :: 121.8 Ave N Shift Values>> N :: 121.14(4.54) 1.L92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 R 0.05 A 0.02 G 0.01 C Shift Assignments>> C :: 179.8 CA :: 57.8 CB :: 41.9 CG :: 26.6 CD1 :: 22.2 CD2 :: 25.0 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 :: 8.53 HA :: 4.1 HB2 :: 1.71 HB3 :: 1.45 HG :: 1.74 HD11 :: 0.85 HD12 :: 0.85 HD13 :: 0.85 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 :: 117.7 Ave N Shift Values>> N :: 121.86(3.9) 1.T93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.3 CA :: 68.4 CB :: 68.4 CG2 :: 21.2 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 :: 7.48 HA :: 3.54 HB :: 4.55 HG21 :: 1.24 HG22 :: 1.24 HG23 :: 1.24 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 :: 116.0 Ave N Shift Values>> N :: 115.42(4.75) 1.L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 A 0.03 R 0.01 C Shift Assignments>> C :: 179.2 CA :: 57.8 CB :: 40.5 CG :: 26.8 CD1 :: 26.2 CD2 :: 21.8 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 :: 7.88 HA :: 3.91 HB2 :: 1.9 HB3 :: 1.16 HG :: 2.07 HD11 :: 0.77 HD12 :: 0.77 HD13 :: 0.77 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 :: 118.4 Ave N Shift Values>> N :: 121.86(3.9) 1.Q95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.31 E 0.16 I 0.09 R 0.06 M 0.01 C Shift Assignments>> C :: 181.2 CA :: 59.2 CB :: 28.3 CG :: 34.4 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 :: 8.62 HA :: 4.1 HB2 :: 2.29 HB3 :: 1.99 HG2 :: 2.6 HG3 :: 2.32 HE21 :: 7.32 HE22 :: 6.6 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 :: 118.9 NE2 :: 110.0 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 I 0.25 K 0.11 Q 0.04 M 0.02 C Shift Assignments>> C :: 178.3 CA :: 59.0 CB :: 29.3 CG :: 36.4 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 :: 8.27 HA :: 4.08 HB2 :: 2.25 HB3 :: 2.08 HG2 :: 2.28 HG3 :: 2.64 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 :: 121.4 Ave N Shift Values>> N :: 120.67(3.48) 1.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.83 A 0.11 R 0.04 C Shift Assignments>> C :: 176.1 CA :: 54.6 CB :: 41.9 CG :: 26.6 CD1 :: 25.6 CD2 :: 22.5 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 :: 7.45 HA :: 4.36 HB2 :: 1.79 HB3 :: 1.79 HG :: 1.86 HD11 :: 0.87 HD12 :: 0.87 HD13 :: 0.87 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 :: 118.2 Ave N Shift Values>> N :: 121.86(3.9) 1.N98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 E 0.18 Y 0.13 M 0.09 F 0.09 D 0.04 K 0.01 I 0.01 L 0.01 C Shift Assignments>> C :: 174.8 CA :: 54.4 CB :: 37.1 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 :: 8.09 HA :: 4.36 HB2 :: 3.08 HB3 :: 2.81 HD21 :: 7.5 HD22 :: 6.78 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 :: 115.3 ND2 :: 112.4 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.1 CA :: 63.0 CB :: 31.7 CG1 :: 22.3 CG2 :: 22.3 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 :: 7.61 HA :: 3.82 HB :: 1.74 HG11 :: 1.06 HG12 :: 1.06 HG13 :: 1.06 HG21 :: 0.97 HG22 :: 0.97 HG23 :: 0.97 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 :: 118.9 Ave N Shift Values>> N :: 121.14(4.54) 1.S100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.K19 1.K19 C Shift Assignments>> C :: 176.2 CA :: 58.8 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 :: 8.4 HA :: 4.17 HB2 :: 4.11 HB3 :: 3.91 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 :: 120.1 Ave N Shift Values>> N :: 116.28(3.52) 1.Q101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 Q 0.36 R 0.14 M 0.04 E 0.03 I 0.01 C Shift Assignments>> C :: 176.6 CA :: 58.3 CB :: 28.4 CG :: 33.3 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 :: 8.9 HA :: 3.67 HB2 :: 1.96 HB3 :: 2.24 HG2 :: 2.42 HG3 :: 2.25 HE21 :: 7.93 HE22 :: 6.55 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 :: 125.6 NE2 :: 115.3 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.31 F 0.3 D 0.13 L 0.09 I 0.06 N 0.06 C Shift Assignments>> C :: 178.9 CA :: 56.9 CB :: 39.5 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 :: 8.38 HA :: 4.29 HB2 :: 2.49 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 :: 115.7 Ave N Shift Values>> N :: 120.65(3.86) 1.L103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 R 0.03 C Shift Assignments>> C :: 178.8 CA :: 57.2 CB :: 41.4 CG :: 27.3 CD1 :: 25.1 CD2 :: 24.0 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 :: 7.28 HA :: 4.18 HB2 :: 1.85 HB3 :: 1.4 HG :: 1.57 HD11 :: 0.89 HD12 :: 0.89 HD13 :: 0.89 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 :: 121.0 Ave N Shift Values>> N :: 121.86(3.9) 1.I104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.L15 1.L15 C Shift Assignments>> C :: 177.3 CA :: 66.5 CB :: 37.1 CG1 :: 29.3 CG2 :: 18.0 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 :: 7.68 HA :: 3.18 HB :: 1.85 HG12 :: 0.57 HG13 :: 1.65 HG21 :: 0.81 HG22 :: 0.81 HG23 :: 0.81 HD11 :: 0.65 HD12 :: 0.65 HD13 :: 0.65 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 :: 120.3 Ave N Shift Values>> N :: 121.46(4.28) 1.D105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.33 F 0.33 D 0.1 I 0.09 L 0.08 N 0.03 C Shift Assignments>> C :: 179.3 CA :: 57.4 CB :: 39.5 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 :: 8.72 HA :: 4.22 HB2 :: 2.71 HB3 :: 2.57 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 :: 118.3 Ave N Shift Values>> N :: 120.65(3.86) 1.E106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.19 R 0.15 I 0.14 H 0.14 K 0.12 Q 0.12 V 0.06 M 0.03 C Shift Assignments>> C :: 178.6 CA :: 59.8 CB :: 29.8 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 :: 7.27 HA :: 3.97 HB2 :: 2.11 HB3 :: 2.11 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 :: 120.8 Ave N Shift Values>> N :: 120.67(3.48) 1.V107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.3 CA :: 65.4 CB :: 31.3 CG1 :: 20.8 CG2 :: 22.1 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 :: 7.85 HA :: 3.65 HB :: 2.08 HG11 :: 0.47 HG12 :: 0.47 HG13 :: 0.47 HG21 :: 0.34 HG22 :: 0.34 HG23 :: 0.34 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 :: 121.1 Ave N Shift Values>> N :: 121.14(4.54) 1.V108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 179.2 CA :: 66.8 CB :: 31.7 CG1 :: 21.1 CG2 :: 23.5 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 :: 8.54 HA :: 3.32 HB :: 2.05 HG11 :: 0.78 HG12 :: 0.78 HG13 :: 0.78 HG21 :: 0.89 HG22 :: 0.89 HG23 :: 0.89 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 :: 119.6 Ave N Shift Values>> N :: 121.14(4.54) 1.T109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.N89 1.N89 1.Y4 1.Y4 C Shift Assignments>> C :: 176.2 CA :: 66.0 CB :: 69.0 CG2 :: 21.7 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 :: 7.6 HA :: 3.88 HB :: 4.29 HG21 :: 1.21 HG22 :: 1.21 HG23 :: 1.21 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 :: 115.6 Ave N Shift Values>> N :: 115.42(4.75) 1.I110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 179.8 CA :: 64.7 CB :: 37.1 CG1 :: 28.4 CG2 :: 18.5 CD1 :: 12.0 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 :: 7.73 HA :: 3.74 HB :: 2.04 HG12 :: 1 HG13 :: 1.54 HG21 :: 0.51 HG22 :: 0.51 HG23 :: 0.51 HD11 :: 0.6 HD12 :: 0.6 HD13 :: 0.6 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 :: 122.8 Ave N Shift Values>> N :: 121.46(4.28) 1.V111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.9 CA :: 65.1 CB :: 31.2 CG1 :: 23.4 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 :: 8.78 HA :: 3.63 HB :: 1.78 HG11 :: 0.58 HG12 :: 0.58 HG13 :: 0.58 HG21 :: 0.65 HG22 :: 0.65 HG23 :: 0.65 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.G112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.26 R 0.15 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.5 CA :: 44.4 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.39 HA2 :: 4.35 HA3 :: 3.64 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.5 Ave N Shift Values>> N :: 109.67(3.87) 1.S113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.4 CA :: 58.5 CB :: 64.1 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.32 HA :: 4.36 HB2 :: 4.42 HB3 :: 4.29 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 :: 116.6 Ave N Shift Values>> N :: 116.28(3.52) 1.V114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.4 CA :: 65.6 CB :: 32.2 CG1 :: 20.9 CG2 :: 21.9 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 :: 8.63 HA :: 3.77 HB :: 2.1 HG11 :: 1.02 HG12 :: 1.02 HG13 :: 1.02 HG21 :: 1.1 HG22 :: 1.1 HG23 :: 1.1 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 :: 125.0 Ave N Shift Values>> N :: 121.14(4.54) 1.Q115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 Q 0.34 R 0.09 E 0.07 I 0.06 M 0.02 P 0.01 C Shift Assignments>> C :: 177.7 CA :: 59.7 CB :: 28.4 CG :: 33.8 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 :: 8.28 HA :: 4.21 HB2 :: 2.34 HB3 :: 2.23 HG2 :: 2.63 HE21 :: 8.42 HE22 :: 7.4 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 :: 119.3 NE2 :: 116.3 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 HN Overlap>> 1.E88 1.E88 C Shift Assignments>> C :: 177.6 CA :: 59.8 CB :: 32.7 CD2 :: 121.2 CE1 :: 143.3 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 :: 8.15 HA :: 5.07 HB2 :: 3.41 HB3 :: 3.12 HD2 :: 6.65 HE1 :: 7.07 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 :: 119.1 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R117 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.66 K 0.24 G 0.09 C Shift Assignments>> C :: 177.8 CA :: 59.9 CB :: 30.3 CG :: 28.4 CD :: 43.0 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 :: 7.88 HA :: 3.45 HB2 :: 1.3 HB3 :: 1.47 HG2 :: 0.71 HG3 :: 0.37(S) HD2 :: 3.08 HD3 :: 2.73 HE :: 7.11 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 :: 118.0 NE :: 83.4 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.N118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 E 0.2 N 0.18 F 0.17 M 0.06 D 0.04 I 0.04 L 0.01 K 0.01 C Shift Assignments>> C :: 177.9 CA :: 55.9 CB :: 37.5 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 :: 8.65 HA :: 4.58 HB2 :: 3.23 HB3 :: 2.95 HD21 :: 7.63 HD22 :: 6.84 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 :: 115.9 ND2 :: 110.6 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D119 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.26 F 0.23 Y 0.17 L 0.12 R 0.09 I 0.05 D 0.03 C Shift Assignments>> C :: 180.0 CA :: 58.8 CB :: 41.9 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 :: 8.81 HA :: 5.41 HB2 :: 3.67(S) HB3 :: 3.59(S) 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 :: 120.3 Ave N Shift Values>> N :: 120.65(3.86) 1.V120 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Anomalous N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.3 CA :: 70.8(A) CB :: 33.9 CG1 :: 24.6 CG2 :: 26.3 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 :: 10.07 HA :: 7.49(A) HB :: 3.61(A) HG11 :: 4.15(A) HG12 :: 4.15(A) HG13 :: 4.15(A) HG21 :: 3.78(A) HG22 :: 3.78(A) HG23 :: 3.78(A) 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 :: 122.2 Ave N Shift Values>> N :: 121.14(4.54) 1.L121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 A 0.08 C Shift Assignments>> C :: 176.3 CA :: 55.3 CB :: 39.9 CG :: 26.8 CD1 :: 25.5 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 :: 8.91 HA :: 5.17 HB2 :: 2.15 HB3 :: 1.98 HG :: 2.25 HD11 :: 0.81 HD12 :: 0.81 HD13 :: 0.81 HD21 :: 1 HD22 :: 1 HD23 :: 1 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 :: 111.2 Ave N Shift Values>> N :: 121.86(3.9) 1.N122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 Y 0.19 F 0.16 D 0.1 E 0.07 M 0.03 L 0.03 I 0.02 C Shift Assignments>> C :: 174.4 CA :: 55.0 CB :: 38.0 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 :: 9.16 HA :: 4.78 HB2 :: 3.66 HB3 :: 3.7 HD21 :: 8.16 HD22 :: 8.43 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 :: 119.3 ND2 :: 111.0 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 M 0.2 R 0.17 H 0.15 E 0.11 Q 0.07 V 0.04 C Shift Assignments>> C :: 181.7 CA :: 57.4 CB :: 32.1 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 :: 9.49 HA :: 4.6 HB2 :: 1.85 HB3 :: 2.04 HD2 :: 3.27 HD3 :: 3.27 HE :: 7.24 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 :: 124.1 NE :: 85.2 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.HEB1 Overall Status: Residue type HEB not supported. ########################################################################### Overall Results: #Consistent: 98 #Clerical: 0 #Suspicious: 18 #Anomalous: 5 #Mistyped: 2 #Indeterminable: 0 Typing Results: #Consistent: 114 #Suspicious: 0 #Mistyped: 2 #Indeterminable: 7 Shift Relative Order (SRO) Results: #Consistent: 118 #Suspicious: 5 C Shift Results: #Consistent: 489 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 3 H Shift Results: #Consistent: 724 #Duplicate: 0 #Unknown: 0 #Suspicious: 55 #Anomalous: 20 N Shift Results: #Consistent: 135 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 2 Error Summary: 1.V30 N = 104.2(S), Expected = 121.14, Std = 4.5400, ChiSquare = 1.9051e-04 1.R32 HG2 = 0.58(S), Expected = 1.57, Std = 0.2700, ChiSquare = 2.4573e-04 1.R32 HG3 = 0.02(S), Expected = 1.54, Std = 0.2900, ChiSquare = 1.5938e-07 1.F33 HB2 = 1.31(S), Expected = 3.00, Std = 0.3700, ChiSquare = 4.9342e-06 1.F33 HB3 = 1.35(S), Expected = 2.93, Std = 0.4000, ChiSquare = 7.8151e-05 1.Q42 HA = 5.83(S), Expected = 4.27, Std = 0.4400, ChiSquare = 3.9194e-04 1.Q42 HB2 = 3.17(S), Expected = 2.05, Std = 0.2500, ChiSquare = 7.4643e-06 1.Q42 HB3 = 3.17(S), Expected = 2.02, Std = 0.2800, ChiSquare = 4.0058e-05 1.Q42 HG3 = 3.28(S), Expected = 2.29, Std = 0.2900, ChiSquare = 6.4065e-04 1.Q44 HB2 = 2.96(S), Expected = 2.05, Std = 0.2500, ChiSquare = 2.7264e-04 1.Q44 HB3 = 3.15(S), Expected = 2.02, Std = 0.2800, ChiSquare = 5.4436e-05 1.H45 Typing: Mistyped 1.H45 CA = 82.5(A), Expected = 56.52, Std = 2.3100, ChiSquare = 2.4027e-29 1.H45 H = 11.04(S), Expected = 8.24, Std = 0.6800, ChiSquare = 3.8276e-05 1.H45 HA = 9.41(A), Expected = 4.61, Std = 0.4300, ChiSquare = 6.2014e-29 1.H45 HB2 = 11.84(A), Expected = 3.10, Std = 0.3600, ChiSquare = 0.0000e+00 1.H45 HB3 = 9.2(A), Expected = 3.04, Std = 0.3800, ChiSquare = 4.2491e-59 1.H45 ND1 = 142.5(A), Expected = 195.02, Std = 18.5100, ChiSquare = 4.5485e-03 1.H45 SRO Rule Break>> H > HB2 : 0.998586572438163 1.H45 SRO Rule Break>> HA > HB2 : 0.992622401073105 1.Q46 H = 10.66(S), Expected = 8.22, Std = 0.5900, ChiSquare = 3.5404e-05 1.Q46 HA = 6.96(A), Expected = 4.27, Std = 0.4400, ChiSquare = 9.7386e-10 1.Q46 HB2 = 3.35(S), Expected = 2.05, Std = 0.2500, ChiSquare = 1.9929e-07 1.Q46 SRO Rule Break>> HE22 > HA : 0.997619047619048 1.K47 HB3 = 2.82(S), Expected = 1.74, Std = 0.2700, ChiSquare = 6.3342e-05 1.D48 H = 10.5(S), Expected = 8.31, Std = 0.5800, ChiSquare = 1.5946e-04 1.D48 HB2 = 3.93(S), Expected = 2.72, Std = 0.2600, ChiSquare = 3.2580e-06 1.D48 HB3 = 1.7(S), Expected = 2.66, Std = 0.2800, ChiSquare = 6.0677e-04 1.F49 HA = 2.74(S), Expected = 4.63, Std = 0.5700, ChiSquare = 9.1385e-04 1.F49 HB3 = 4.35(S), Expected = 2.93, Std = 0.4000, ChiSquare = 3.8523e-04 1.F49 HD1 = 3.76(A), Expected = 7.06, Std = 0.3100, ChiSquare = 1.8367e-26 1.F49 HD2 = 3.76(A), Expected = 7.06, Std = 0.3100, ChiSquare = 1.8367e-26 1.F49 HE1 = 4.54(S), Expected = 7.08, Std = 0.3100, ChiSquare = 2.5364e-16 1.F49 HE2 = 4.54(S), Expected = 7.08, Std = 0.3200, ChiSquare = 2.0630e-15 1.F49 HZ = 5.55(S), Expected = 7.00, Std = 0.4200, ChiSquare = 5.5566e-04 1.F49 SRO Rule Break>> HA > HB2 : 0.995201919232307 1.F49 SRO Rule Break>> HA > HB3 : 0.99548625359048 1.F49 SRO Rule Break>> HD1 > HB2 : 0.999027237354086 1.F49 SRO Rule Break>> HD2 > HB2 : 0.999425287356322 1.F49 SRO Rule Break>> HD1 > HB3 : 0.999510763209393 1.F49 SRO Rule Break>> HD2 > HB3 : 0.999423631123919 1.M65 HB2 = 3.66(S), Expected = 2.03, Std = 0.3400, ChiSquare = 1.6339e-06 1.M65 HB3 = 4.09(A), Expected = 1.99, Std = 0.3400, ChiSquare = 6.5550e-10 1.M65 HE1 = -0.09(S), Expected = 1.89, Std = 0.4600, ChiSquare = 1.6748e-05 1.M65 HE2 = -0.09(S), Expected = 1.89, Std = 0.4600, ChiSquare = 1.6748e-05 1.M65 HE3 = -0.09(S), Expected = 1.89, Std = 0.4600, ChiSquare = 1.6748e-05 1.R66 HA = 6.34(S), Expected = 4.30, Std = 0.4600, ChiSquare = 9.2165e-06 1.R66 HG2 = 2.64(S), Expected = 1.57, Std = 0.2700, ChiSquare = 7.4025e-05 1.R66 HG3 = 2.55(S), Expected = 1.54, Std = 0.2900, ChiSquare = 4.9628e-04 1.A68 HB1 = -0.81(S), Expected = 1.35, Std = 0.2600, ChiSquare = 9.7581e-17 1.A68 HB2 = -0.81(S), Expected = 1.35, Std = 0.2600, ChiSquare = 9.7581e-17 1.A68 HB3 = -0.81(S), Expected = 1.35, Std = 0.2600, ChiSquare = 9.7581e-17 1.H69 Typing: Mistyped 1.H69 CA = 71.7(A), Expected = 56.52, Std = 2.3100, ChiSquare = 4.9835e-11 1.H69 HA = 6.42(S), Expected = 4.61, Std = 0.4300, ChiSquare = 2.5616e-05 1.H69 HB2 = 9.92(A), Expected = 3.10, Std = 0.3600, ChiSquare = 4.9074e-80 1.H69 HB3 = 9.45(A), Expected = 3.04, Std = 0.3800, ChiSquare = 7.6823e-64 1.H69 ND1 = 135.8(A), Expected = 195.02, Std = 18.5100, ChiSquare = 1.3774e-03 1.H69 SRO Rule Break>> H > HB2 : 0.998586572438163 1.H69 SRO Rule Break>> HA > HB2 : 0.992622401073105 1.H69 SRO Rule Break>> HA > HB3 : 0.995208761122519 1.Q70 HB2 = 3.07(S), Expected = 2.05, Std = 0.2500, ChiSquare = 4.5036e-05 1.L72 HD11 = -0.8(S), Expected = 0.75, Std = 0.2800, ChiSquare = 3.0996e-08 1.L72 HD12 = -0.8(S), Expected = 0.75, Std = 0.2800, ChiSquare = 3.0996e-08 1.L72 HD13 = -0.8(S), Expected = 0.75, Std = 0.2800, ChiSquare = 3.0996e-08 1.V73 HG21 = 2.02(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.3177e-05 1.V73 HG22 = 2.02(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.3177e-05 1.V73 HG23 = 2.02(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.3177e-05 1.L78 HD11 = -0.69(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.7059e-07 1.L78 HD12 = -0.69(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.7059e-07 1.L78 HD13 = -0.69(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.7059e-07 1.T79 H = 11.07(S), Expected = 8.24, Std = 0.6200, ChiSquare = 5.0065e-06 1.F83 HA = 2.72(S), Expected = 4.63, Std = 0.5700, ChiSquare = 8.0556e-04 1.F83 SRO Rule Break>> HA > HB3 : 0.99548625359048 1.I86 HB = 0.23(S), Expected = 1.78, Std = 0.2900, ChiSquare = 9.0503e-08 1.I86 HG12 = -0.42(S), Expected = 1.28, Std = 0.4000, ChiSquare = 2.1377e-05 1.I86 HG21 = -1.01(S), Expected = 0.77, Std = 0.2700, ChiSquare = 4.3221e-11 1.I86 HG22 = -1.01(S), Expected = 0.77, Std = 0.2700, ChiSquare = 4.3221e-11 1.I86 HG23 = -1.01(S), Expected = 0.77, Std = 0.2700, ChiSquare = 4.3221e-11 1.I86 HD11 = -1.23(A), Expected = 0.68, Std = 0.2900, ChiSquare = 4.5120e-11 1.I86 HD12 = -1.23(A), Expected = 0.68, Std = 0.2900, ChiSquare = 4.5120e-11 1.I86 HD13 = -1.23(A), Expected = 0.68, Std = 0.2900, ChiSquare = 4.5120e-11 1.N89 HD21 = 5.36(S), Expected = 7.35, Std = 0.4800, ChiSquare = 3.3858e-05 1.N89 HD22 = 9.19(S), Expected = 7.14, Std = 0.4900, ChiSquare = 2.8684e-05 1.R117 HG3 = 0.37(S), Expected = 1.54, Std = 0.2900, ChiSquare = 5.4723e-05 1.D119 HB2 = 3.67(S), Expected = 2.72, Std = 0.2600, ChiSquare = 2.5834e-04 1.D119 HB3 = 3.59(S), Expected = 2.66, Std = 0.2800, ChiSquare = 8.9558e-04 1.V120 CA = 70.8(A), Expected = 62.49, Std = 2.8600, ChiSquare = 3.6656e-03 1.V120 HA = 7.49(A), Expected = 4.19, Std = 0.5800, ChiSquare = 1.2730e-08 1.V120 HB = 3.61(A), Expected = 1.98, Std = 0.3200, ChiSquare = 3.5105e-07 1.V120 HG11 = 4.15(A), Expected = 0.83, Std = 0.2600, ChiSquare = 2.4355e-37 1.V120 HG12 = 4.15(A), Expected = 0.83, Std = 0.2600, ChiSquare = 2.4355e-37 1.V120 HG13 = 4.15(A), Expected = 0.83, Std = 0.2600, ChiSquare = 2.4355e-37 1.V120 HG21 = 3.78(A), Expected = 0.80, Std = 0.2800, ChiSquare = 1.8827e-26 1.V120 HG22 = 3.78(A), Expected = 0.80, Std = 0.2800, ChiSquare = 1.8827e-26 1.V120 HG23 = 3.78(A), Expected = 0.80, Std = 0.2800, ChiSquare = 1.8827e-26