Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 169.6 CA :: 57.9 CB :: 63.8 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.09 HB2 :: 3.61 HB3 :: 3.78 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.K2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.43 R 0.06 C Shift Assignments>> C :: 174.5 CA :: 56.5 CB :: 33.3 CG :: 24.5 CD :: 28.5 CE :: 41.4 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 :: 9.35 HA :: 4.94 HB2 :: 1.74 HB3 :: 1.52 HG2 :: 1.36 HG3 :: 1.23 HD2 :: 1.49 HD3 :: 1.59 HE2 :: 2.85 HE3 :: 2.85 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 :: 127.8 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 V 0.36 C Shift Assignments>> C :: 173.5 CA :: 59.8 CB :: 35.1 CG1 :: 21.0 CG2 :: 22.6 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 :: 8.62 HA :: 4.48 HB :: 1.62 HG11 :: 0.49 HG12 :: 0.49 HG13 :: 0.49 HG21 :: 0.69 HG22 :: 0.69 HG23 :: 0.69 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 :: 123.9 Ave N Shift Values>> N :: 121.14(4.54) 1.V4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.46 C Shift Assignments>> C :: 174.0 CA :: 60.7 CB :: 32.8 CG1 :: 21.0 CG2 :: 20.1 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 :: 8.83 HA :: 4.68 HB :: 2.02 HG11 :: 0.75 HG12 :: 0.75 HG13 :: 0.75 HG21 :: 0.72 HG22 :: 0.72 HG23 :: 0.72 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 :: 127.5 Ave N Shift Values>> N :: 121.14(4.54) 1.Y5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.72 C 0.27 C Shift Assignments>> C :: 176.5 CA :: 56.4 CB :: 40.2 CD1 :: 132.6 CD2 :: 132.6 CE1 :: 117.5 CE2 :: 117.5 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 :: 8.91 HA :: 4.98 HB2 :: 2.63 HB3 :: 2.81 HD1 :: 6.77 HD2 :: 6.77 HE1 :: 6.34 HE2 :: 6.34 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 :: 126.7 Ave N Shift Values>> N :: 120.52(4.2) 1.V6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 C Shift Assignments>> C :: 176.4 CA :: 61.2 CB :: 32.0 CG1 :: 21.0 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 :: 9.47 HA :: 4.84 HB :: 2.31 HG11 :: 0.94 HG12 :: 0.94 HG13 :: 0.94 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 :: 128.3 Ave N Shift Values>> N :: 121.14(4.54) 1.S7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.2 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 :: 8.87 HA :: 4.68 HB2 :: 3.92 HB3 :: 3.75 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 :: 123.2 Ave N Shift Values>> N :: 116.28(3.52) 1.H8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.35 H 0.32 C 0.31 HN Overlap>> 1.R104 1.R104 1.C39 1.C39 C Shift Assignments>> C :: 175.4 CA :: 58.7 CB :: 29.5 CD2 :: 120.1 CE1 :: 138.1 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 :: 8.11 HA :: 4.47 HB2 :: 3.15 HB3 :: 3.29 HD1 :: 9.03 HD2 :: 7.10 HE1 :: 7.83 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 :: 122.9 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.26 L 0.08 C 0.07 F 0.06 Y 0.05 C Shift Assignments>> C :: 176.7 CA :: 52.7 CB :: 39.6 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 :: 7.44 HA :: 4.41 HB2 :: 2.26 HB3 :: 2.96 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 :: 117.9 Ave N Shift Values>> N :: 120.65(3.86) 1.G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.2 R 0.07 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.7 CA :: 44.7 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.11 HA2 :: 4.28 HA3 :: 3.50 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.T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 173.1 CA :: 63.8 CB :: 68.9 CG2 :: 21.4 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 :: 7.99 HA :: 4.00 HB :: 4.12 HG21 :: 1.18 HG22 :: 1.18 HG23 :: 1.18 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 :: 119.2 Ave N Shift Values>> N :: 115.42(4.75) 1.R12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 C 0.35 K 0.17 G 0.08 C Shift Assignments>> C :: 175.7 CA :: 55.0 CB :: 32.8 CG :: 28.0 CD :: 43.4 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 :: 8.71 HA :: 5.06 HB2 :: 1.69 HB3 :: 1.70 HG2 :: 1.70 HG3 :: 1.41 HD2 :: 3.08 HD3 :: 3.33 HE :: 7.42 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 :: 126.5 NE :: 83.6 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.R13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.35 R 0.27 C Shift Assignments>> C :: 173.6 CA :: 54.6 CB :: 32.5 CG :: 27.5 CD :: 41.9 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 :: 9.04 HA :: 4.64 HB2 :: 1.70 HB3 :: 1.70 HG2 :: 1.41 HG3 :: 1.48 HD2 :: 2.96 HD3 :: 3.08 HE :: 7.31 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 :: 125.7 NE :: 83.9 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.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.36 M 0.2 Q 0.02 K 0.01 C Shift Assignments>> C :: 175.4 CA :: 54.7 CB :: 31.1 CG :: 36.7 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 :: 8.69 HA :: 5.19 HB2 :: 1.91 HB3 :: 1.90 HG2 :: 2.02 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 :: 125.4 Ave N Shift Values>> N :: 120.67(3.48) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.27 C 0.1 A 0.03 C Shift Assignments>> C :: 174.8 CA :: 53.0 CB :: 45.5 CG :: 26.5 CD1 :: 25.6 CD2 :: 23.5 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 :: 9.44 HA :: 4.72 HB2 :: 1.36 HB3 :: 1.56 HG :: 1.50 HD11 :: 0.68 HD12 :: 0.68 HD13 :: 0.68 HD21 :: 0.77 HD22 :: 0.77 HD23 :: 0.77 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 :: 126.9 Ave N Shift Values>> N :: 121.86(3.9) 1.D16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.27 K 0.13 R 0.07 N 0.06 F 0.06 C 0.04 Y 0.03 C Shift Assignments>> C :: 175.2 CA :: 53.6 CB :: 42.0 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 :: 4.96 HB2 :: 2.62 HB3 :: 2.36 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.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.45 C Shift Assignments>> C :: 174.5 CA :: 61.1 CB :: 34.4 CG1 :: 21.7 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 :: 9.11 HA :: 4.09 HB :: 1.81 HG11 :: 0.86 HG12 :: 0.86 HG13 :: 0.86 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 :: 126.8 Ave N Shift Values>> N :: 121.14(4.54) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.09 C 0.01 C Shift Assignments>> C :: 175.7 CA :: 51.7 CB :: 18.8 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.48 HA :: 4.15 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 :: 132.2 Ave N Shift Values>> N :: 123.23(3.54) 1.D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 F 0.16 N 0.15 Y 0.14 L 0.14 C 0.09 K 0.01 I 0.01 C Shift Assignments>> C :: 178.2 CA :: 55.2 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 :: 7.88 HA :: 4.11 HB2 :: 2.39 HB3 :: 2.63 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 :: 119.3 Ave N Shift Values>> N :: 120.65(3.86) 1.G20 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 :: 173.6 CA :: 45.0 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.03 HA2 :: 4.30 HA3 :: 3.46 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.8 Ave N Shift Values>> N :: 109.67(3.87) 1.V21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 C Shift Assignments>> C :: 175.4 CA :: 61.1 CB :: 32.6 CG1 :: 21.0 CG2 :: 21.5 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 :: 7.48 HA :: 4.15 HB :: 2.14 HG11 :: 1.08 HG12 :: 1.08 HG13 :: 1.08 HG21 :: 0.86 HG22 :: 0.86 HG23 :: 0.86 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 :: 123.2 Ave N Shift Values>> N :: 121.14(4.54) 1.S22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.2 CA :: 56.9 CB :: 65.4 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.76 HA :: 5.47 HB2 :: 3.84 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 :: 122.0 Ave N Shift Values>> N :: 116.28(3.52) 1.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 L 0.41 C Shift Assignments>> C :: 180.1 CA :: 57.8 CB :: 40.9 CG :: 28.4 CD1 :: 24.6 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 :: 8.55 HA :: 4.10 HB2 :: 1.98 HB3 :: 1.62 HG :: 1.81 HD11 :: 0.75 HD12 :: 0.75 HD13 :: 0.75 HD21 :: 0.76 HD22 :: 0.76 HD23 :: 0.76 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 :: 120.0 Ave N Shift Values>> N :: 121.86(3.9) 1.M24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 M 0.43 A 0.02 C Shift Assignments>> C :: 176.3 CA :: 57.9 CB :: 30.7 CG :: 31.7 CE :: 17.4 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 :: 7.08 HA :: 4.16 HB2 :: 1.70 HB3 :: 2.40 HG2 :: 2.87 HG3 :: 2.59 HE1 :: 1.91 HE2 :: 1.91 HE3 :: 1.91 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 :: 120.3 Ave N Shift Values>> N :: 120.09(3.57) 1.Q25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 Q 0.43 E 0.05 C Shift Assignments>> C :: 179.3 CA :: 58.5 CB :: 27.8 CG :: 33.8 CD :: 179.9 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 :: 7.94 HA :: 3.84 HB2 :: 2.20 HB3 :: 2.02 HG2 :: 2.22 HG3 :: 2.39 HE21 :: 7.51 HE22 :: 6.90 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 :: 121.8 NE2 :: 113.5 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 M 0.31 C 0.03 I 0.01 C Shift Assignments>> C :: 179.3 CA :: 54.5 CB :: 18.9 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.11 HA :: 4.09 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 :: 121.8 Ave N Shift Values>> N :: 123.23(3.54) 1.A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.36 I 0.02 C 0.01 C Shift Assignments>> C :: 180.0 CA :: 54.8 CB :: 17.5 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.42 HA :: 3.46 HB1 :: 0.92 HB2 :: 0.92 HB3 :: 0.92 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.V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 HN Overlap>> 1.D103 1.D103 C Shift Assignments>> C :: 180.2 CA :: 65.6 CB :: 31.9 CG1 :: 21.0 CG2 :: 22.9 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 :: 8.46 HA :: 3.87 HB :: 2.09 HG11 :: 0.97 HG12 :: 0.97 HG13 :: 0.97 HG21 :: 1.07 HG22 :: 1.07 HG23 :: 1.07 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 :: 120.5 Ave N Shift Values>> N :: 121.14(4.54) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.E93 1.E93 C Shift Assignments>> C :: 174.8 CA :: 61.2 CB :: 63.5 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.44 HA :: 4.25 HB2 :: 3.95 HB3 :: 3.94 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 :: 116.8 Ave N Shift Values>> N :: 116.28(3.52) 1.N30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.5 N 0.41 C 0.08 C Shift Assignments>> C :: 174.3 CA :: 53.1 CB :: 40.8 CG :: 177.6 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 :: 7.28 HA :: 4.80 HB2 :: 2.73 HB3 :: 2.42 HD21 :: 7.42 HD22 :: 8.22 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 :: 116.5 ND2 :: 118.0 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G31 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 :: 174.6 CA :: 46.6 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.69 HA2 :: 3.91 HA3 :: 3.89 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.7 Ave N Shift Values>> N :: 109.67(3.87) 1.I32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> C :: 176.0 CA :: 61.9 CB :: 36.7 CG1 :: 27.5 CG2 :: 16.1 CD1 :: 11.7 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 :: 7.95 HA :: 3.63 HB :: 1.23 HG12 :: 0.87 HG13 :: 0.77 HG21 :: 0.29 HG22 :: 0.29 HG23 :: 0.29 HD11 :: 0.23 HD12 :: 0.23 HD13 :: 0.23 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) 1.Y33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.38 C Shift Assignments>> C :: 174.9 CA :: 59.0 CB :: 38.9 CD1 :: 131.8 CD2 :: 131.8 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 :: 7.60 HA :: 4.78 HB2 :: 3.10 HB3 :: 2.61 HD1 :: 6.88 HD2 :: 6.88 HE1 :: 6.69 HE2 :: 6.69 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 :: 125.0 Ave N Shift Values>> N :: 120.52(4.2) 1.D34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.19 N 0.16 F 0.09 Y 0.07 C 0.05 K 0.05 HN Overlap>> 1.I68 1.I68 C Shift Assignments>> C :: 175.4 CA :: 53.9 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 :: 8.42 HA :: 4.59 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 :: 119.4 Ave N Shift Values>> N :: 120.65(3.86) 1.I35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 175.1 CA :: 61.3 CB :: 39.3 CG1 :: 27.1 CG2 :: 17.5 CD1 :: 13.2 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 :: 7.61 HA :: 4.18 HB :: 1.71 HG12 :: 1.39 HG13 :: 1.00 HG21 :: 0.78 HG22 :: 0.78 HG23 :: 0.78 HD11 :: 0.73 HD12 :: 0.73 HD13 :: 0.73 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.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.45 C Shift Assignments>> C :: 175.8 CA :: 60.7 CB :: 32.5 CG1 :: 21.1 CG2 :: 20.3 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 :: 8.21 HA :: 4.13 HB :: 2.02 HG11 :: 0.89 HG12 :: 0.89 HG13 :: 0.89 HG21 :: 0.88 HG22 :: 0.88 HG23 :: 0.88 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.G37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.2 R 0.07 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.5 CA :: 44.7 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.09 HA2 :: 3.86 HA3 :: 3.91 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.4 Ave N Shift Values>> N :: 109.67(3.87) 1.D38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.2 N 0.17 K 0.06 F 0.06 C 0.05 Y 0.04 C Shift Assignments>> C :: 176.5 CA :: 53.1 CB :: 41.1 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 :: 8.07 HA :: 4.70 HB2 :: 2.67 HB3 :: 2.60 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 :: 119.7 Ave N Shift Values>> N :: 120.65(3.86) 1.C39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 W 0.17 E 0.13 R 0.12 H 0.1 Q 0.08 K 0.05 V 0.04 M 0.04 I 0.03 HN Overlap>> 1.H8 1.H8 C Shift Assignments>> C :: 175.6 CA :: 59.2 CB :: 30.4 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.10 HA :: 4.66 HB2 :: 2.77 HB3 :: 3.38 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.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 174.7 CA :: 45.4 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.40 HA2 :: 3.96 HA3 :: 3.88 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.5 Ave N Shift Values>> N :: 109.67(3.87) 1.G41 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>> CA :: 45.2 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.14 HA2 :: 4.07 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 :: 110.2 Ave N Shift Values>> N :: 109.67(3.87) 1.S42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.3 CA :: 58.7 CB :: 63.5 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.35 HA :: 4.40 HB2 :: 3.94 HB3 :: 3.89 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 :: 112.5 Ave N Shift Values>> N :: 116.28(3.52) 1.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.1 C 0.01 C Shift Assignments>> C :: 177.3 CA :: 52.3 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 :: 8.16 HA :: 4.36 HB1 :: 1.41 HB2 :: 1.41 HB3 :: 1.41 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.6 Ave N Shift Values>> N :: 123.23(3.54) 1.S44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.6 CA :: 57.8 CB :: 63.7 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.10 HA :: 4.45 HB2 :: 3.95 HB3 :: 3.90 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 :: 114.0 Ave N Shift Values>> N :: 116.28(3.52) 1.C45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 W 0.17 E 0.12 R 0.09 H 0.09 K 0.08 I 0.08 Q 0.08 V 0.03 M 0.02 C Shift Assignments>> C :: 174.9 CA :: 59.6 CB :: 29.7 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.21 HA :: 4.46 HB2 :: 3.00 HB3 :: 2.84 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 :: 120.2 Ave N Shift Values>> N :: 120.17(4.64) 1.A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.31 C 0.04 I 0.01 L 0.01 V 0.01 C Shift Assignments>> CA :: 54.9 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 :: 8.33 HA :: 4.09 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 :: 124.4 Ave N Shift Values>> N :: 123.23(3.54) 1.T47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.5 CA :: 62.2 CB :: 68.7 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 :: 8.06 HA :: 4.16 HB :: 4.14 HG21 :: 1.00 HG22 :: 1.00 HG23 :: 1.00 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 :: 107.8 Ave N Shift Values>> N :: 115.42(4.75) 1.C48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.14 R 0.14 C 0.14 H 0.13 Q 0.1 M 0.06 K 0.06 V 0.01 I 0.01 HN Overlap>> 1.C86 1.C86 C Shift Assignments>> C :: 175.8 CA :: 57.6 CB :: 30.5 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.64 HA :: 4.63 HB2 :: 3.09 HB3 :: 3.41 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 :: 119.1 Ave N Shift Values>> N :: 120.17(4.64) 1.H49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.37 W 0.36 C 0.26 C Shift Assignments>> C :: 173.8 CA :: 55.7 CB :: 29.5 CD2 :: 119.5 CE1 :: 136.3 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 :: 7.35 HA :: 4.99 HB2 :: 2.93 HB3 :: 3.08 HD2 :: 7.00 HE1 :: 7.40 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 :: 125.0 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 I 0.03 A 0.01 C Shift Assignments>> C :: 172.6 CA :: 58.5 CB :: 36.8 CG1 :: 22.7 CG2 :: 17.2 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 :: 9.25 HA :: 4.47 HB :: 1.99 HG11 :: 0.96 HG12 :: 0.96 HG13 :: 0.96 HG21 :: 0.56 HG22 :: 0.56 HG23 :: 0.56 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.Y51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.69 C 0.3 C Shift Assignments>> C :: 177.1 CA :: 53.7 CB :: 38.0 CD1 :: 132.3 CD2 :: 132.3 CE1 :: 117.8 CE2 :: 117.8 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 :: 8.54 HA :: 5.27 HB2 :: 2.95 HB3 :: 2.83 HD1 :: 6.90 HD2 :: 6.90 HE1 :: 6.90 HE2 :: 6.90 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 :: 117.9 Ave N Shift Values>> N :: 120.52(4.2) 1.V52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 C Shift Assignments>> C :: 175.1 CA :: 62.9 CB :: 32.1 CG1 :: 21.2 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 :: 8.70 HA :: 3.95 HB :: 2.04 HG11 :: 1.02 HG12 :: 1.02 HG13 :: 1.02 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 :: 127.1 Ave N Shift Values>> N :: 121.14(4.54) 1.N53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.47 C 0.27 N 0.24 C Shift Assignments>> C :: 176.6 CA :: 55.9 CB :: 41.5 CG :: 176.5 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 :: 8.51 HA :: 4.43 HB2 :: 2.75 HB3 :: 3.03 HD21 :: 7.23 HD22 :: 8.17 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 :: 128.5 ND2 :: 115.6 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.31 I 0.18 K 0.08 Q 0.04 C Shift Assignments>> C :: 176.7 CA :: 59.4 CB :: 29.0 CG :: 36.1 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 :: 9.29 HA :: 4.22 HB2 :: 2.07 HB3 :: 2.07 HG2 :: 2.34 HG3 :: 2.34 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 :: 125.5 Ave N Shift Values>> N :: 120.67(3.48) 1.A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 M 0.37 C 0.01 C Shift Assignments>> C :: 177.8 CA :: 53.5 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 :: 8.44 HA :: 4.20 HB1 :: 1.22 HB2 :: 1.22 HB3 :: 1.22 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.1 Ave N Shift Values>> N :: 123.23(3.54) 1.F56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.56 C 0.43 C Shift Assignments>> C :: 176.7 CA :: 58.5 CB :: 41.2 CD1 :: 130.7 CD2 :: 130.7 CE1 :: 132.1 CE2 :: 132.1 CZ :: 131.7 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 :: 8.82 HA :: 4.46 HB2 :: 3.20 HB3 :: 2.81 HD1 :: 7.18 HD2 :: 7.18 HE1 :: 7.31 HE2 :: 7.31 HZ :: 7.24 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 :: 114.7 Ave N Shift Values>> N :: 120.45(4.18) 1.T57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 HN Overlap>> 1.C73 1.C73 C Shift Assignments>> C :: 175.6 CA :: 65.7 CB :: 68.2 CG2 :: 23.1 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 :: 7.58 HA :: 3.80 HB :: 4.23 HG21 :: 1.30 HG22 :: 1.30 HG23 :: 1.30 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 :: 114.9 Ave N Shift Values>> N :: 115.42(4.75) 1.D58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.53 N 0.26 C 0.19 C Shift Assignments>> C :: 176.5 CA :: 54.7 CB :: 39.3 CG :: 178.9 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 :: 8.67 HA :: 4.64 HB2 :: 2.64 HB3 :: 2.65 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.K59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.42 R 0.08 C Shift Assignments>> C :: 176.1 CA :: 56.6 CB :: 34.2 CG :: 25.0 CD :: 28.8 CE :: 41.9 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 :: 7.53 HA :: 4.31 HB2 :: 1.93 HB3 :: 1.79 HG2 :: 1.41 HG3 :: 1.49 HD2 :: 1.62 HD3 :: 1.62 HE2 :: 2.84 HE3 :: 2.94 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 :: 118.6 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 V 0.39 C Shift Assignments>> CA :: 59.3 CB :: 33.1 CG1 :: 23.0 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 :: 7.12 HA :: 4.28 HB :: 2.02 HG11 :: 1.10 HG12 :: 1.10 HG13 :: 1.10 HG21 :: 1.04 HG22 :: 1.04 HG23 :: 1.04 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 :: 119.3 Ave N Shift Values>> N :: 121.14(4.54) 1.P61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 176.0 CA :: 63.3 CB :: 31.5 CG :: 27.3 CD :: 50.8 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 :: 4.33 HB2 :: 1.88 HB3 :: 2.38 HG2 :: 2.18 HG3 :: 2.04 HD2 :: 4.01 HD3 :: 3.62 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) 1.A62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.11 C 0.01 C Shift Assignments>> C :: 177.9 CA :: 52.2 CB :: 18.8 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.49 HA :: 4.08 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 :: 126.9 Ave N Shift Values>> N :: 123.23(3.54) 1.A63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.16 C 0.01 C Shift Assignments>> C :: 177.4 CA :: 53.0 CB :: 18.8 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.71 HA :: 4.11 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 :: 126.3 Ave N Shift Values>> N :: 123.23(3.54) 1.N64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.85 C 0.07 D 0.06 C Shift Assignments>> C :: 174.9 CA :: 50.5 CB :: 38.8 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 :: 8.69 HA :: 4.79 HB2 :: 2.95 HB3 :: 3.34 HD21 :: 6.77 HD22 :: 7.71 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 :: 121.9 ND2 :: 112.5 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.3 I 0.2 K 0.07 Q 0.03 C Shift Assignments>> C :: 178.8 CA :: 59.8 CB :: 29.1 CG :: 36.1 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 :: 8.71 HA :: 3.92 HB2 :: 2.04 HB3 :: 2.04 HG2 :: 2.34 HG3 :: 2.25 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.R66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.42 K 0.06 G 0.04 L 0.02 HN Overlap>> 1.T91 1.T91 C Shift Assignments>> C :: 178.4 CA :: 58.2 CB :: 29.3 CG :: 27.3 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 :: 7.28 HA :: 4.77 HB2 :: 1.88 HB3 :: 1.83 HG2 :: 1.67 HG3 :: 1.53 HD2 :: 3.20 HD3 :: 3.22 HE :: 7.17 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 :: 84.6 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.E67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.21 I 0.1 Y 0.08 M 0.06 V 0.05 K 0.05 F 0.04 Q 0.03 C Shift Assignments>> C :: 177.7 CA :: 59.5 CG :: 35.7 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 :: 8.19 HA :: 3.87 HB2 :: 1.41 HB3 :: 1.41 HG2 :: 2.12 HG3 :: 2.10 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 :: 122.5 Ave N Shift Values>> N :: 120.67(3.48) 1.I68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 HN Overlap>> 1.D34 1.D34 C Shift Assignments>> C :: 178.8 CA :: 65.1 CB :: 37.3 CG1 :: 28.4 CG2 :: 16.9 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 :: 8.44 HA :: 3.62 HB :: 1.81 HG12 :: 1.13 HG13 :: 1.55 HG21 :: 0.88 HG22 :: 0.88 HG23 :: 0.88 HD11 :: 0.72 HD12 :: 0.72 HD13 :: 0.72 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 :: 119.4 Ave N Shift Values>> N :: 121.46(4.28) 1.G69 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 :: 176.6 CA :: 46.5 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.98 HA2 :: 3.88 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 :: 106.2 Ave N Shift Values>> N :: 109.67(3.87) 1.M70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 M 0.45 A 0.01 HN Overlap>> 1.I97 1.I97 C Shift Assignments>> C :: 179.1 CA :: 58.3 CB :: 34.0 CG :: 32.4 CE :: 17.2 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 :: 7.82 HA :: 4.26 HB2 :: 2.13 HB3 :: 2.05 HG2 :: 2.48 HG3 :: 2.74 HE1 :: 2.00 HE2 :: 2.00 HE3 :: 2.00 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 :: 121.6 Ave N Shift Values>> N :: 120.09(3.57) 1.L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.39 R 0.03 C Shift Assignments>> C :: 177.4 CA :: 57.2 CB :: 41.6 CG :: 27.3 CD1 :: 25.4 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 :: 8.51 HA :: 3.92 HB2 :: 1.48 HB3 :: 2.01 HG :: 1.68 HD11 :: 0.86 HD12 :: 0.86 HD13 :: 0.86 HD21 :: 0.64 HD22 :: 0.64 HD23 :: 0.64 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.E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.28 I 0.19 K 0.07 Q 0.04 C Shift Assignments>> C :: 177.6 CA :: 58.2 CB :: 27.8 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 :: 7.33 HA :: 4.06 HB2 :: 2.04 HB3 :: 2.15 HG2 :: 2.30 HG3 :: 2.52 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 :: 115.8 Ave N Shift Values>> N :: 120.67(3.48) 1.C73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 R 0.13 W 0.12 Q 0.11 K 0.11 I 0.1 E 0.09 H 0.08 L 0.04 M 0.01 HN Overlap>> 1.T57 1.T57 C Shift Assignments>> C :: 175.1 CA :: 58.5 CB :: 28.0 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.56 HA :: 4.58 HB2 :: 3.12 HB3 :: 2.99 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 :: 114.9 Ave N Shift Values>> N :: 120.17(4.64) 1.V74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> C :: 175.9 CA :: 62.2 CB :: 32.1 CG1 :: 21.3 CG2 :: 19.2 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 :: 7.43 HA :: 4.16 HB :: 2.20 HG11 :: 0.71 HG12 :: 0.71 HG13 :: 0.71 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 :: 117.7 Ave N Shift Values>> N :: 121.14(4.54) 1.T75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 174.5 CA :: 61.5 CB :: 68.7 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 :: 7.96 HA :: 4.15 HB :: 4.24 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 :: 115.0 Ave N Shift Values>> N :: 115.42(4.75) 1.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 C 0.02 L 0.02 M 0.02 C Shift Assignments>> C :: 176.0 CA :: 51.5 CB :: 20.4 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 :: 4.38 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 :: 125.3 Ave N Shift Values>> N :: 123.23(3.54) 1.E77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.28 Q 0.13 K 0.13 M 0.06 I 0.02 C Shift Assignments>> C :: 176.0 CA :: 56.3 CB :: 29.7 CG :: 35.7 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 :: 8.22 HA :: 4.16 HB2 :: 1.99 HB3 :: 1.99 HG2 :: 2.28 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 :: 118.8 Ave N Shift Values>> N :: 120.67(3.48) 1.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 C 0.27 R 0.01 G 0.01 C Shift Assignments>> C :: 176.8 CA :: 55.1 CB :: 42.2 CG :: 26.7 CD1 :: 24.5 CD2 :: 24.4 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 :: 8.45 HA :: 4.56 HB2 :: 1.58 HB3 :: 1.60 HG :: 1.54 HD11 :: 0.93 HD12 :: 0.93 HD13 :: 0.93 HD21 :: 0.80 HD22 :: 0.80 HD23 :: 0.80 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 :: 129.3 Ave N Shift Values>> N :: 121.86(3.9) 1.K79 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.56 C 0.33 R 0.09 C Shift Assignments>> CA :: 54.2 CB :: 33.7 CG :: 25.6 CD :: 28.3 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 :: 9.66 HA :: 4.90 HB2 :: 1.90 HB3 :: 1.66 HG2 :: 1.18 HG3 :: 1.30 HD2 :: 1.31 HD3 :: 0.77(S) HE2 :: 2.57 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 :: 127.2 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.13 C Shift Assignments>> C :: 176.7 CA :: 65.0 CB :: 31.5 CG :: 27.3 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 :: 4.42 HB2 :: 1.90 HB3 :: 2.48 HG2 :: 2.08 HG3 :: 1.94 HD2 :: 3.87 HD3 :: 3.71 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) 1.N81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 Q 0.25 N 0.23 E 0.02 C Shift Assignments>> C :: 175.1 CA :: 52.0 CB :: 35.1 CG :: 178.6 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 :: 8.72 HA :: 4.81 HB2 :: 2.77 HB3 :: 3.71 HD21 :: 6.68 HD22 :: 7.64 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 :: 111.0 ND2 :: 112.4 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.4 CA :: 62.4 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 :: 8.17 HA :: 5.12 HB2 :: 4.20 HB3 :: 4.08 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 :: 121.1 Ave N Shift Values>> N :: 116.28(3.52) 1.R83 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 174.7 CA :: 51.5 CB :: 35.1 CG :: 27.0 CD :: 39.0(S) 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 :: 9.47 HA :: 4.81 HB2 :: 1.88 HB3 :: 1.28 HG2 :: 1.35 HG3 :: 1.45 HD2 :: 3.32 HD3 :: 3.54 HE :: 9.89(S) 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 :: 84.3 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.L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.26 A 0.24 R 0.03 C Shift Assignments>> C :: 178.3 CA :: 53.0 CB :: 41.1 CG :: 27.0 CD1 :: 27.4 CD2 :: 22.4 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 :: 9.20 HA :: 4.88 HB2 :: 1.82 HB3 :: 1.67 HG :: 1.72 HD11 :: 1.02 HD12 :: 1.02 HD13 :: 1.02 HD21 :: 0.82 HD22 :: 0.82 HD23 :: 0.82 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 :: 120.1 Ave N Shift Values>> N :: 121.86(3.9) 1.S85 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 :: 61.6 CB :: 62.1 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.28 HA :: 5.38 HB2 :: 4.07 HB3 :: 3.97 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 :: 122.0 Ave N Shift Values>> N :: 116.28(3.52) 1.C86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.14 E 0.14 R 0.14 W 0.14 C 0.12 Q 0.12 K 0.07 M 0.06 I 0.01 HN Overlap>> 1.C48 1.C48 C Shift Assignments>> C :: 174.4 CA :: 56.9 CB :: 30.2 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.68 HA :: 4.58 HB2 :: 2.98 HB3 :: 3.27 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 :: 119.2 Ave N Shift Values>> N :: 120.17(4.64) 1.Q87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.6 C 0.36 E 0.01 N 0.01 C Shift Assignments>> C :: 174.7 CA :: 53.5 CB :: 27.8 CG :: 33.9 CD :: 179.1 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 :: 7.92 HA :: 4.30 HB2 :: 2.10 HB3 :: 2.01 HG2 :: 2.50 HG3 :: 2.45 HE21 :: 7.13 HE22 :: 6.95 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 :: 118.4 NE2 :: 114.9 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 C Shift Assignments>> C :: 173.0 CA :: 60.8 CB :: 38.6 CG1 :: 25.3 CG2 :: 17.1 CD1 :: 13.1 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 :: 6.94 HA :: 4.11 HB :: 1.64 HG12 :: 0.81 HG13 :: 1.69 HG21 :: 0.67 HG22 :: 0.67 HG23 :: 0.67 HD11 :: 0.53 HD12 :: 0.53 HD13 :: 0.53 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 :: 120.6 Ave N Shift Values>> N :: 121.46(4.28) 1.I89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 I 0.12 A 0.03 C Shift Assignments>> C :: 175.3 CA :: 58.1 CB :: 36.6 CG1 :: 26.6 CG2 :: 17.5 CD1 :: 9.5 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 :: 8.65 HA :: 3.89 HB :: 1.81 HG12 :: 1.30 HG13 :: 1.31 HG21 :: 0.70 HG22 :: 0.70 HG23 :: 0.70 HD11 :: 0.54 HD12 :: 0.54 HD13 :: 0.54 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 :: 129.0 Ave N Shift Values>> N :: 121.46(4.28) 1.M90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 C 0.41 A 0.13 C Shift Assignments>> C :: 175.5 CA :: 56.1 CB :: 30.8 CG :: 32.3 CE :: 17.8 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 :: 8.42 HA :: 4.49 HB2 :: 2.29 HB3 :: 1.78 HG2 :: 2.42 HG3 :: 2.31 HE1 :: 1.73 HE2 :: 1.73 HE3 :: 1.73 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 :: 126.3 Ave N Shift Values>> N :: 120.09(3.57) 1.T91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.69 C 0.28 A 0.02 HN Overlap>> 1.R66 1.R66 C Shift Assignments>> CA :: 58.2 CB :: 70.5 CG2 :: 21.4 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 :: 7.28 HA :: 4.74 HB :: 4.61 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 :: 116.8 Ave N Shift Values>> N :: 115.42(4.75) 1.P92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.13 C Shift Assignments>> C :: 179.4 CA :: 65.0 CB :: 31.5 CG :: 27.3 CD :: 50.6 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 :: 4.44 HB2 :: 2.48 HB3 :: 1.89 HG2 :: 2.10 HG3 :: 1.89 HD2 :: 3.81 HD3 :: 3.80 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) 1.E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.31 I 0.24 K 0.03 HN Overlap>> 1.S29 1.S29 C Shift Assignments>> C :: 177.5 CA :: 58.9 CB :: 29.1 CG :: 37.1 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 :: 8.36 HA :: 4.13 HB2 :: 1.98 HB3 :: 2.05 HG2 :: 2.30 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 :: 116.8 Ave N Shift Values>> N :: 120.67(3.48) 1.L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 C 0.17 A 0.03 R 0.02 C Shift Assignments>> C :: 174.6 CA :: 53.3 CB :: 41.9 CG :: 26.7 CD1 :: 25.8 CD2 :: 23.7 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 :: 7.82 HA :: 4.46 HB2 :: 1.68 HB3 :: 2.08 HG :: 1.79 HD11 :: 0.99 HD12 :: 0.99 HD13 :: 0.99 HD21 :: 0.81 HD22 :: 0.81 HD23 :: 0.81 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.D95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 L 0.21 R 0.16 F 0.12 D 0.09 Y 0.08 C 0.06 I 0.01 C Shift Assignments>> C :: 176.6 CA :: 56.9 CB :: 42.3 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 :: 7.14 HA :: 4.15 HB2 :: 2.72 HB3 :: 2.94 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 :: 118.7 Ave N Shift Values>> N :: 120.65(3.86) 1.G96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.35 L 0.28 R 0.21 C 0.04 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 172.1 CA :: 44.2 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.81 HA2 :: 3.04 HA3 :: 4.24 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 118.1 Ave N Shift Values>> N :: 109.67(3.87) 1.I97 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.97 I 0.01 HN Overlap>> 1.M70 1.M70 C Shift Assignments>> CA :: 61.5 CB :: 37.3 CG1 :: 21.5(S) CG2 :: 16.1 CD1 :: 14.3 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 :: 7.92 HA :: 1.32(S) HB :: 1.58 HG12 :: 0.61 HG13 :: 0.79 HG21 :: 0.87 HG22 :: 0.87 HG23 :: 0.87 HD11 :: 0.70 HD12 :: 0.70 HD13 :: 0.70 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 :: 121.6 Ave N Shift Values>> N :: 121.46(4.28) SRO Rule Breaks>> (HA > HB : 0.9982) 1.V98 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.59 V 0.39 C Shift Assignments>> C :: 175.2 CA :: 59.0 CB :: 34.3 CG1 :: 21.5 CG2 :: 20.3 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 :: 5.12(S) HA :: 4.76 HB :: 1.61 HG11 :: 0.83 HG12 :: 0.83 HG13 :: 0.83 HG21 :: 0.95 HG22 :: 0.95 HG23 :: 0.95 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 :: 125.7 Ave N Shift Values>> N :: 121.14(4.54) 1.V99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 V 0.18 A 0.04 C Shift Assignments>> C :: 172.8 CA :: 57.8 CB :: 34.1 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 :: 8.82 HA :: 4.89 HB :: 1.63 HG11 :: 0.57 HG12 :: 0.57 HG13 :: 0.57 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 :: 120.3 Ave N Shift Values>> N :: 121.14(4.54) 1.D100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 D 0.23 R 0.18 G 0.07 K 0.05 C 0.04 F 0.03 N 0.03 Y 0.02 C Shift Assignments>> C :: 175.6 CA :: 52.7 CB :: 43.0 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 :: 8.93 HA :: 5.45 HB2 :: 2.72 HB3 :: 2.64 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.V101 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>> CA :: 59.6 CB :: 32.9 CG1 :: 21.2 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 :: 8.85 HA :: 4.43 HB :: 2.17 HG11 :: 1.11 HG12 :: 1.11 HG13 :: 1.11 HG21 :: 1.04 HG22 :: 1.04 HG23 :: 1.04 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 :: 124.2 Ave N Shift Values>> N :: 121.14(4.54) 1.P102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> C :: 176.1 CA :: 62.4 CB :: 31.9 CG :: 27.3 CD :: 50.8 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 :: 4.47 HB2 :: 2.17 HB3 :: 1.82 HG2 :: 2.00 HG3 :: 2.00 HD2 :: 3.58 HD3 :: 3.65 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) 1.D103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.21 L 0.16 F 0.09 Y 0.07 C 0.06 K 0.03 HN Overlap>> 1.V28 1.V28 C Shift Assignments>> C :: 175.9 CA :: 53.8 CB :: 40.5 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 :: 8.46 HA :: 4.27 HB2 :: 2.20 HB3 :: 2.39 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.R104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.51 C 0.35 K 0.08 G 0.04 HN Overlap>> 1.H8 1.H8 C Shift Assignments>> C :: 175.4 CA :: 55.6 CB :: 30.6 CG :: 27.1 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 :: 8.03 HA :: 4.11 HB2 :: 1.53 HB3 :: 1.53 HG2 :: 1.35 HG3 :: 1.31 HD2 :: 2.88 HD3 :: 2.93 HE :: 7.09 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 :: 122.9 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.Q105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.52 C 0.36 E 0.1 C Shift Assignments>> C :: 174.4 CA :: 55.5 CB :: 29.3 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 :: 8.20 HA :: 4.25 HB2 :: 1.85 HB3 :: 2.04 HG2 :: 2.05 HG3 :: 2.22 HE21 :: 7.55 HE22 :: 6.78 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 :: 121.9 NE2 :: 113.6 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.W106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.52 C 0.47 C Shift Assignments>> CA :: 58.1 CB :: 29.7 CD1 :: 126.6 CE3 :: 120.9 CZ2 :: 114.1 CZ3 :: 120.1 CH2 :: 124.1 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 :: 7.58 HA :: 4.50 HB2 :: 3.15 HB3 :: 3.33 HD1 :: 7.17 HE1 :: 9.97 HE3 :: 7.59 HZ2 :: 7.40 HZ3 :: 7.10 HH2 :: 7.09 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 :: 127.7 NE1 :: 129.6 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 2.GA1 Overall Status: Residue type GA not supported. ########################################################################### Overall Results: #Consistent: 102 #Clerical: 0 #Suspicious: 3 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 105 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 105 #Suspicious: 1 C Shift Results: #Consistent: 444 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 716 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 N Shift Results: #Consistent: 114 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K79 HD3 = 0.77(S), Expected = 1.60, Std = 0.2200, ChiSquare = 1.6147e-04 1.R83 Typing: Mistyped 1.R83 CD = 39.0(S), Expected = 43.16, Std = 0.8800, ChiSquare = 2.2756e-06 1.R83 HE = 9.89(S), Expected = 7.40, Std = 0.6300, ChiSquare = 7.7377e-05 1.I97 CG1 = 21.5(S), Expected = 27.71, Std = 1.6800, ChiSquare = 2.1865e-04 1.I97 HA = 1.32(S), Expected = 4.18, Std = 0.5600, ChiSquare = 3.2707e-07 1.I97 SRO Rule Break>> HA > HB : 0.998207349865551 1.V98 H = 5.12(S), Expected = 8.29, Std = 0.6700, ChiSquare = 2.2304e-06