Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> CA :: 45.3 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 4.10 HA3 :: 4.00 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.K2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.35 R 0.18 G 0.01 HN Overlap>> 1.F66 1.F66 C Shift Assignments>> CA :: 55.8 CB :: 34.1 CG :: 25.3 CD :: 29.4 CE :: 42.3 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.34 HA :: 4.49 HB2 :: 1.70 HB3 :: 1.85 HG2 :: 1.50 HG3 :: 1.50 HD2 :: 1.63 HD3 :: 1.63 HE2 :: 3.01 HE3 :: 3.01 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 :: 120.5 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.8 CB :: 65.0 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.70 HA :: 4.52 HB2 :: 4.37 HB3 :: 4.09 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 :: 117.4 Ave N Shift Values>> N :: 116.28(3.52) 1.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 I 0.32 E 0.24 K 0.02 C Shift Assignments>> CA :: 60.2 CB :: 29.2 CG :: 36.9 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.99 HA :: 4.00 HB2 :: 2.12 HB3 :: 2.12 HG2 :: 2.42 HG3 :: 2.42 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 :: 122.1 Ave N Shift Values>> N :: 120.67(3.48) 1.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.28 I 0.27 K 0.03 Q 0.01 C Shift Assignments>> CA :: 60.0 CB :: 29.3 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 :: 4.10 HB2 :: 2.03 HB3 :: 2.03 HG2 :: 2.37 HG3 :: 2.37 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 :: 119.3 Ave N Shift Values>> N :: 120.67(3.48) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 E 0.31 I 0.14 M 0.03 K 0.01 HN Overlap>> 1.M30 1.M30 C Shift Assignments>> CA :: 59.0 CB :: 30.4 CG :: 37.4 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.83 HA :: 4.20 HB2 :: 2.35 HB3 :: 2.08 HG2 :: 2.41 HG3 :: 2.36 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.L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.41 R 0.07 C Shift Assignments>> CA :: 58.1 CB :: 41.9 CG :: 27.0 CD1 :: 26.2 CD2 :: 23.8 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 :: 8.51 HA :: 4.34 HB2 :: 1.54 HB3 :: 2.17 HG :: 1.84 HD11 :: 0.82 HD12 :: 0.82 HD13 :: 0.82 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 :: 120.8 Ave N Shift Values>> N :: 121.86(3.9) 1.S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 62.4 CB :: 62.8 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.72 HA :: 4.36 HB2 :: 4.14 HB3 :: 4.14 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 :: 116.2 Ave N Shift Values>> N :: 116.28(3.52) 1.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.22 L 0.13 D 0.12 C 0.1 K 0.08 I 0.04 N 0.02 HN Overlap>> 1.A18 1.A18 1.A33 1.A33 C Shift Assignments>> CA :: 57.3 CB :: 40.6 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 :: 7.88 HA :: 4.48 HB2 :: 2.89 HB3 :: 2.68 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.7 Ave N Shift Values>> N :: 120.65(3.86) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.4 R 0.1 G 0.03 C Shift Assignments>> CA :: 58.1 CB :: 42.8 CG :: 27.4 CD1 :: 24.6 CD2 :: 25.3 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 :: 8.10 HA :: 4.27 HB2 :: 2.14 HB3 :: 2.14 HG :: 2.06 HD11 :: 1.17 HD12 :: 1.17 HD13 :: 1.17 HD21 :: 1.20 HD22 :: 1.20 HD23 :: 1.20 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 :: 121.6 Ave N Shift Values>> N :: 121.86(3.9) 1.F11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.15 Y 0.14 F 0.14 C Shift Assignments>> CA :: 62.3 CB :: 39.2 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.54 HA :: 3.31 HB2 :: 2.68 HB3 :: 3.15 HD1 :: 6.40 HD2 :: 6.37 HE1 :: 6.94 HE2 :: 6.94 HZ :: 7.13 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.0 Ave N Shift Values>> N :: 120.45(4.18) 1.R12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.38 G 0.08 K 0.06 C Shift Assignments>> CA :: 59.0 CB :: 30.3 CG :: 28.2 CD :: 43.5 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 :: 7.83 HA :: 3.96 HB2 :: 2.00 HB3 :: 1.93 HG2 :: 1.96 HG3 :: 1.75 HD2 :: 3.27 HD3 :: 3.27 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 115.0 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.M13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 M 0.37 Q 0.14 K 0.03 HN Overlap>> 1.D61 1.D61 C Shift Assignments>> CA :: 58.0 CB :: 32.6 CG :: 31.7 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 :: 7.78 HA :: 3.95 HB2 :: 1.94 HB3 :: 2.14 HG2 :: 2.39 HG3 :: 2.17 HE1 :: 1.85 HE2 :: 1.85 HE3 :: 1.85 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 :: 117.4 Ave N Shift Values>> N :: 120.09(3.57) 1.F14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.26 I 0.24 C 0.14 L 0.02 K 0.01 D 0.01 C Shift Assignments>> CA :: 60.0 CB :: 40.1 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.45 HA :: 4.33 HB2 :: 2.64 HB3 :: 2.89 HD1 :: 7.17 HD2 :: 7.17 HE1 :: 7.31 HE2 :: 7.31 HZ :: 7.47 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 :: 114.9 Ave N Shift Values>> N :: 120.45(4.18) 1.D15 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.63 D 0.1 C 0.1 Y 0.05 F 0.04 L 0.02 M 0.01 E 0.01 C Shift Assignments>> CA :: 52.4 CB :: 38.2 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 :: 7.75 HA :: 4.51 HB2 :: 2.48 HB3 :: 1.58(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 :: 119.4 Ave N Shift Values>> N :: 120.65(3.86) 1.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.41 R 0.15 C Shift Assignments>> CA :: 58.6 CB :: 32.9 CG :: 24.6 CD :: 28.6 CE :: 42.3 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.61 HA :: 3.98 HB2 :: 1.91 HB3 :: 1.91 HG2 :: 1.60 HG3 :: 1.57 HD2 :: 1.76 HD3 :: 1.76 HE2 :: 3.08 HE3 :: 3.08 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.0 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 C 0.21 M 0.07 E 0.04 Y 0.03 F 0.02 D 0.02 K 0.01 C Shift Assignments>> CA :: 51.7 CB :: 36.6 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 :: 7.95 HA :: 4.74 HB2 :: 3.30 HB3 :: 2.86 HD21 :: 7.86 HD22 :: 6.69 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 :: 113.2 ND2 :: 112.5 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.38 C 0.01 HN Overlap>> 1.D9 1.A33 1.D9 1.A33 C Shift Assignments>> CA :: 52.9 CB :: 17.0 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.84 HA :: 4.05 HB1 :: 1.36 HB2 :: 1.36 HB3 :: 1.36 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.7 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 0.36 L 0.19 N 0.19 F 0.06 K 0.06 C 0.05 Y 0.04 HN Overlap>> 1.D55 1.D55 C Shift Assignments>> CA :: 53.1 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 :: 8.47 HA :: 4.72 HB2 :: 3.21 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 :: 117.9 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>> CA :: 45.0 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.35 HA2 :: 4.04 HA3 :: 3.47 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.1 Ave N Shift Values>> N :: 109.67(3.87) 1.Y21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 R 0.26 D 0.12 K 0.12 F 0.07 C 0.05 Y 0.04 G 0.02 C Shift Assignments>> CA :: 55.7 CB :: 42.9 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 :: 8.03 HA :: 5.33 HB2 :: 2.71 HB3 :: 2.56 HD1 :: 6.73 HD2 :: 6.73 HE1 :: 6.84 HE2 :: 6.84 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 :: 115.8 Ave N Shift Values>> N :: 120.52(4.2) 1.I22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 C Shift Assignments>> CA :: 59.9 CB :: 38.6 CG1 :: 27.3 CG2 :: 17.4 CD1 :: 14.2 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 :: 9.98 HA :: 4.86 HB :: 1.78 HG12 :: 1.01 HG13 :: 0.41 HG21 :: 0.82 HG22 :: 0.82 HG23 :: 0.82 HD11 :: 0.27 HD12 :: 0.27 HD13 :: 0.27 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.0 Ave N Shift Values>> N :: 121.46(4.28) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.25 N 0.1 K 0.08 R 0.06 C 0.05 F 0.04 Y 0.02 G 0.01 C Shift Assignments>> CA :: 51.9 CB :: 42.1 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 :: 8.85 HA :: 4.92 HB2 :: 3.32 HB3 :: 2.50 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 128.4 Ave N Shift Values>> N :: 120.65(3.86) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.46 R 0.05 G 0.01 HN Overlap>> 1.Y60 1.Y60 C Shift Assignments>> CA :: 58.8 CB :: 42.1 CG :: 27.3 CD1 :: 24.2 CD2 :: 25.3 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 :: 8.56 HA :: 3.96 HB2 :: 1.77 HB3 :: 1.67 HG :: 1.68 HD11 :: 0.96 HD12 :: 0.96 HD13 :: 0.96 HD21 :: 0.96 HD22 :: 0.96 HD23 :: 0.96 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 :: 118.6 Ave N Shift Values>> N :: 121.86(3.9) 1.E25 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.27 Y 0.23 L 0.11 C 0.11 D 0.09 K 0.07 I 0.06 N 0.01 C Shift Assignments>> CA :: 57.7 CB :: 40.6(S) 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 :: 7.92 HA :: 4.36 HB2 :: 2.79(S) HB3 :: 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 :: 118.1 Ave N Shift Values>> N :: 120.67(3.48) 1.E26 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 K 0.22 R 0.14 M 0.05 C Shift Assignments>> CA :: 58.7 CB :: 30.1 CG :: 29.4(S) 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 :: 8.52 HA :: 4.05 HB2 :: 2.44 HB3 :: 2.35 HG2 :: 2.18 HG3 :: 2.18 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 :: 121.0 Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (CG > CB : 0.9917) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 L 0.43 R 0.1 G 0.01 C Shift Assignments>> CA :: 58.1 CB :: 42.1 CG :: 26.9 CD1 :: 24.3 CD2 :: 26.4 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 :: 8.77 HA :: 3.95 HB2 :: 1.46 HB3 :: 1.95 HG :: 1.51 HD11 :: 0.74 HD12 :: 0.74 HD13 :: 0.74 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 :: 122.4 Ave N Shift Values>> N :: 121.86(3.9) 1.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.3 R 0.16 HN Overlap>> 1.L31 1.D41 1.L31 1.D41 C Shift Assignments>> CA :: 60.6 CB :: 32.5 CG :: 26.3 CD :: 29.4 CE :: 42.1 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 :: 8.17 HA :: 3.80 HB2 :: 2.01 HB3 :: 2.01 HG2 :: 1.65 HG3 :: 1.34 HD2 :: 1.77 HD3 :: 1.77 HE2 :: 2.93 HE3 :: 2.87 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 :: 117.9 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 C Shift Assignments>> CA :: 64.6 CB :: 38.2 CG1 :: 29.1 CG2 :: 17.6 CD1 :: 13.0 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 :: 7.76 HA :: 3.79 HB :: 1.99 HG12 :: 1.74 HG13 :: 1.29 HG21 :: 1.05 HG22 :: 1.05 HG23 :: 1.05 HD11 :: 0.91 HD12 :: 0.91 HD13 :: 0.91 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.2 Ave N Shift Values>> N :: 121.46(4.28) 1.M30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 M 0.36 Q 0.15 K 0.03 E 0.01 HN Overlap>> 1.E6 1.E6 C Shift Assignments>> CA :: 58.1 CB :: 32.8 CG :: 31.7 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 :: 7.74 HA :: 3.64 HB2 :: 1.65 HB3 :: 1.89 HG2 :: 1.78 HG3 :: 1.56 HE1 :: 1.87 HE2 :: 1.87 HE3 :: 1.87 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 :: 119.8 Ave N Shift Values>> N :: 120.09(3.57) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.45 R 0.02 A 0.01 HN Overlap>> 1.D41 1.K28 1.D41 1.K28 C Shift Assignments>> CA :: 57.0 CB :: 41.0 CG :: 27.2 CD1 :: 26.4 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 :: 8.22 HA :: 4.15 HB2 :: 1.46 HB3 :: 1.80 HG :: 1.83 HD11 :: 0.78 HD12 :: 0.78 HD13 :: 0.78 HD21 :: 0.73 HD22 :: 0.73 HD23 :: 0.73 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 :: 117.9 Ave N Shift Values>> N :: 121.86(3.9) 1.Q32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.23 K 0.21 E 0.16 I 0.04 R 0.03 C Shift Assignments>> CA :: 58.1 CB :: 28.4 CG :: 34.7 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 :: 8.17 HA :: 4.26 HB2 :: 2.20 HB3 :: 2.20 HG2 :: 2.59 HG3 :: 2.41 HE21 :: 7.40 HE22 :: 6.81 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 :: 118.6 NE2 :: 110.5 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.21 C 0.02 HN Overlap>> 1.A18 1.D9 1.A18 1.D9 C Shift Assignments>> CA :: 53.9 CB :: 19.1 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.81 HA :: 4.35 HB1 :: 1.63 HB2 :: 1.63 HB3 :: 1.63 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.7 Ave N Shift Values>> N :: 123.23(3.54) 1.T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> CA :: 62.5 CB :: 70.2 CG2 :: 21.6 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.69 HA :: 4.40 HB :: 4.45 HG21 :: 1.33 HG22 :: 1.33 HG23 :: 1.33 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 :: 108.0 Ave N Shift Values>> N :: 115.42(4.75) 1.G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> CA :: 45.7 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.92 HA2 :: 4.18 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 :: 109.5 Ave N Shift Values>> N :: 109.67(3.87) 1.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.31 M 0.15 Q 0.07 K 0.04 I 0.01 HN Overlap>> 1.D51 1.D51 C Shift Assignments>> CA :: 55.9 CB :: 30.6 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 :: 8.02 HA :: 4.44 HB2 :: 1.88 HB3 :: 2.09 HG2 :: 2.31 HG3 :: 2.27 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.0 Ave N Shift Values>> N :: 120.67(3.48) 1.T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> CA :: 62.7 CB :: 69.0 CG2 :: 21.6 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.60 HA :: 4.34 HB :: 4.21 HG21 :: 1.20 HG22 :: 1.20 HG23 :: 1.20 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.0 Ave N Shift Values>> N :: 115.42(4.75) 1.I38 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>> CA :: 59.8 CB :: 40.0 CG1 :: 27.4 CG2 :: 17.8 CD1 :: 13.6 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 :: 8.04 HA :: 4.61 HB :: 1.93 HG12 :: 1.53 HG13 :: 1.28 HG21 :: 0.94 HG22 :: 0.94 HG23 :: 0.94 HD11 :: 0.85 HD12 :: 0.85 HD13 :: 0.85 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.9 Ave N Shift Values>> N :: 121.46(4.28) 1.T39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 C Shift Assignments>> CA :: 60.8 CB :: 71.4 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 :: 8.89 HA :: 4.58 HB :: 4.65 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 :: 117.4 Ave N Shift Values>> N :: 115.42(4.75) 1.E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.27 I 0.26 K 0.04 Q 0.01 C Shift Assignments>> CA :: 60.3 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 :: 8.93 HA :: 3.96 HB2 :: 2.10 HB3 :: 2.10 HG2 :: 2.35 HG3 :: 2.35 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.D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.19 L 0.15 D 0.15 C 0.09 K 0.09 I 0.03 N 0.02 HN Overlap>> 1.L31 1.L31 1.K28 1.K28 C Shift Assignments>> CA :: 56.9 CB :: 40.7 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.20 HA :: 4.39 HB2 :: 2.52 HB3 :: 2.69 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.D42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.21 L 0.14 D 0.14 C 0.1 K 0.08 I 0.03 N 0.02 C Shift Assignments>> CA :: 57.0 CB :: 40.6 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 :: 7.70 HA :: 4.45 HB2 :: 3.04 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 :: 120.3 Ave N Shift Values>> N :: 120.65(3.86) 1.I43 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.L46 1.L46 C Shift Assignments>> CA :: 65.1 CB :: 37.4 CG1 :: 29.1 CG2 :: 18.1 CD1 :: 13.7 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 :: 7.91 HA :: 3.54 HB :: 1.99 HG12 :: 1.79 HG13 :: 0.98 HG21 :: 0.87 HG22 :: 0.87 HG23 :: 0.87 HD11 :: 0.83 HD12 :: 0.83 HD13 :: 0.83 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 :: 120.8 Ave N Shift Values>> N :: 121.46(4.28) 1.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 I 0.29 E 0.27 K 0.03 C Shift Assignments>> CA :: 60.0 CB :: 29.2 CG :: 36.8 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 :: 8.00 HA :: 3.86 HB2 :: 2.12 HB3 :: 2.12 HG2 :: 2.50 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 :: 119.2 Ave N Shift Values>> N :: 120.67(3.48) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.34 I 0.13 K 0.09 Q 0.05 M 0.01 C Shift Assignments>> CA :: 59.2 CB :: 29.4 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 :: 7.77 HA :: 4.05 HB2 :: 2.16 HB3 :: 2.16 HG2 :: 2.42 HG3 :: 2.40 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.1 Ave N Shift Values>> N :: 120.67(3.48) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.4 R 0.05 HN Overlap>> 1.I43 1.I43 C Shift Assignments>> CA :: 58.0 CB :: 41.9 CG :: 27.0 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 :: 7.83 HA :: 4.10 HB2 :: 1.50 HB3 :: 1.89 HG :: 1.79 HD11 :: 0.72 HD12 :: 0.72 HD13 :: 0.72 HD21 :: 0.86 HD22 :: 0.86 HD23 :: 0.86 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.8 Ave N Shift Values>> N :: 121.86(3.9) 1.M47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 M 0.46 A 0.03 C Shift Assignments>> CA :: 57.5 CB :: 31.2 CG :: 32.3 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 :: 7.91 HA :: 4.14 HB2 :: 2.21 HB3 :: 1.85 HG2 :: 2.56 HG3 :: 2.40 HE1 :: 1.93 HE2 :: 1.93 HE3 :: 1.93 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 :: 117.7 Ave N Shift Values>> N :: 120.09(3.57) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.42 R 0.1 C Shift Assignments>> CA :: 59.2 CB :: 32.3 CG :: 25.2 CD :: 29.4 CE :: 42.2 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.84 HA :: 4.04 HB2 :: 1.93 HB3 :: 1.93 HG2 :: 1.64 HG3 :: 1.49 HD2 :: 1.71 HD3 :: 1.71 HE2 :: 2.98 HE3 :: 2.98 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 :: 118.0 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.19 F 0.17 K 0.17 D 0.16 Y 0.14 C 0.07 N 0.02 R 0.02 I 0.01 C Shift Assignments>> CA :: 56.5 CB :: 41.2 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 :: 8.10 HA :: 4.49 HB2 :: 2.88 HB3 :: 2.80 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 :: 117.3 Ave N Shift Values>> N :: 120.65(3.86) 1.G50 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>> CA :: 45.4 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.76 HA2 :: 4.13 HA3 :: 3.75 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.2 Ave N Shift Values>> N :: 109.67(3.87) 1.D51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.24 C 0.07 F 0.07 L 0.07 Y 0.07 HN Overlap>> 1.E36 1.E36 C Shift Assignments>> CA :: 53.2 CB :: 39.4 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 :: 8.02 HA :: 4.63 HB2 :: 2.95 HB3 :: 2.47 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 :: 120.0 Ave N Shift Values>> N :: 120.65(3.86) 1.K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.41 R 0.16 C Shift Assignments>> CA :: 57.9 CB :: 32.9 CG :: 24.8 CD :: 28.6 CE :: 42.3 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.93 HA :: 4.21 HB2 :: 2.00 HB3 :: 2.00 HG2 :: 1.72 HG3 :: 1.56 HD2 :: 1.78 HD3 :: 1.78 HE2 :: 3.12 HE3 :: 3.12 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.6 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.66 C 0.15 D 0.04 Y 0.03 M 0.03 F 0.02 E 0.02 C Shift Assignments>> CA :: 51.6 CB :: 37.3 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 :: 8.12 HA :: 4.86 HB2 :: 3.32 HB3 :: 2.86 HD21 :: 7.92 HD22 :: 6.61 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 :: 113.7 ND2 :: 112.6 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.24 C 0.19 Y 0.16 F 0.12 E 0.1 D 0.06 M 0.04 I 0.02 L 0.02 C Shift Assignments>> CA :: 55.2 CB :: 37.7 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 :: 7.80 HA :: 4.47 HB2 :: 3.06 HB3 :: 2.68 HD21 :: 7.45 HD22 :: 6.71 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 :: 115.6 ND2 :: 112.0 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.24 L 0.16 F 0.06 C 0.05 Y 0.05 K 0.03 HN Overlap>> 1.D19 1.D19 C Shift Assignments>> CA :: 53.0 CB :: 40.7 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.54 HA :: 4.73 HB2 :: 2.99 HB3 :: 2.42 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.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> CA :: 45.8 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.41 HA2 :: 4.05 HA3 :: 3.53 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.1 Ave N Shift Values>> N :: 109.67(3.87) 1.R57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.25 R 0.16 G 0.12 C Shift Assignments>> CA :: 53.8 CB :: 34.2 CG :: 25.7 CD :: 43.2 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.79 HA :: 4.83 HB2 :: 1.52 HB3 :: 1.62 HG2 :: 1.31 HG3 :: 1.25 HD2 :: 2.55 HD3 :: 2.26 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 115.8 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.I58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.45 C Shift Assignments>> CA :: 58.9 CB :: 38.8 CG1 :: 27.5 CG2 :: 18.1 CD1 :: 11.8 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.24 HA :: 5.26 HB :: 2.17 HG12 :: 1.39 HG13 :: 1.11 HG21 :: 1.27 HG22 :: 1.27 HG23 :: 1.27 HD11 :: 0.67 HD12 :: 0.67 HD13 :: 0.67 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.9 Ave N Shift Values>> N :: 121.46(4.28) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.26 N 0.1 K 0.09 R 0.05 C 0.04 F 0.04 Y 0.02 G 0.01 C Shift Assignments>> CA :: 52.4 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 :: 9.20 HA :: 5.30 HB2 :: 3.29 HB3 :: 2.86 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 128.4 Ave N Shift Values>> N :: 120.65(3.86) 1.Y60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.18 Y 0.14 F 0.11 HN Overlap>> 1.L24 1.L24 C Shift Assignments>> CA :: 62.0 CB :: 38.2 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 :: 3.48 HB2 :: 2.18 HB3 :: 2.49 HD1 :: 6.34 HD2 :: 6.34 HE1 :: 6.60 HE2 :: 6.60 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 :: 118.7 Ave N Shift Values>> N :: 120.52(4.2) 1.D61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.24 C 0.11 L 0.1 D 0.08 K 0.07 I 0.07 N 0.01 HN Overlap>> 1.M13 1.M13 C Shift Assignments>> CA :: 57.9 CB :: 40.6 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 :: 7.78 HA :: 4.20 HB2 :: 2.75 HB3 :: 2.62 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.4 Ave N Shift Values>> N :: 120.65(3.86) 1.E62 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.45 E 0.33 I 0.16 M 0.02 K 0.01 C Shift Assignments>> CA :: 58.9 CB :: 30.1 CG :: 37.3 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 :: 8.84 HA :: 4.11 HB2 :: 2.63 HB3 :: 2.33 HG2 :: 3.06(S) HG3 :: 3.06(S) 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 :: 121.3 Ave N Shift Values>> N :: 120.67(3.48) 1.F63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.4 F 0.21 Y 0.21 C 0.15 C Shift Assignments>> CA :: 61.3 CB :: 39.8 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 :: 9.17 HA :: 4.24 HB2 :: 3.32 HB3 :: 3.47 HD1 :: 7.09 HD2 :: 7.09 HE1 :: 7.49 HE2 :: 7.49 HZ :: 7.33 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 :: 123.7 Ave N Shift Values>> N :: 120.45(4.18) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.4 R 0.01 C Shift Assignments>> CA :: 58.2 CB :: 41.7 CG :: 26.5 CD1 :: 25.3 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 :: 8.35 HA :: 3.64 HB2 :: 1.32 HB3 :: 1.74 HG :: 1.35 HD11 :: 0.69 HD12 :: 0.69 HD13 :: 0.69 HD21 :: 0.78 HD22 :: 0.78 HD23 :: 0.78 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 :: 119.0 Ave N Shift Values>> N :: 121.86(3.9) 1.E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.36 I 0.13 K 0.05 Q 0.02 M 0.02 C Shift Assignments>> CA :: 59.1 CB :: 29.7 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 :: 7.44 HA :: 3.98 HB2 :: 2.10 HB3 :: 2.10 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 :: 116.6 Ave N Shift Values>> N :: 120.67(3.48) 1.F66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.34 F 0.24 Y 0.23 C 0.15 HN Overlap>> 1.K2 1.K2 C Shift Assignments>> CA :: 60.8 CB :: 39.9 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.30 HA :: 4.24 HB2 :: 3.24 HB3 :: 3.05 HD1 :: 6.88 HD2 :: 6.88 HE1 :: 7.01 HE2 :: 7.01 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.5 Ave N Shift Values>> N :: 120.45(4.18) 1.M67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 C 0.38 A 0.11 C Shift Assignments>> CA :: 54.9 CB :: 30.7 CG :: 31.6 CE :: 16.0 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 :: 8.25 HA :: 4.21 HB2 :: 1.72 HB3 :: 1.69 HG2 :: 1.93 HG3 :: 1.47 HE1 :: 1.76 HE2 :: 1.76 HE3 :: 1.76 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 :: 115.3 Ave N Shift Values>> N :: 120.09(3.57) 1.K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.43 R 0.1 C Shift Assignments>> CA :: 58.7 CB :: 32.3 CG :: 25.2 CD :: 29.4 CE :: 42.1 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 :: 7.59 HA :: 4.05 HB2 :: 1.85 HB3 :: 1.85 HG2 :: 1.64 HG3 :: 1.44 HD2 :: 1.66 HD3 :: 1.66 HE2 :: 2.92 HE3 :: 2.92 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 :: 119.5 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> CA :: 45.1 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.70 HA2 :: 4.07 HA3 :: 3.75 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.5 Ave N Shift Values>> N :: 109.67(3.87) 1.V70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> CA :: 62.1 CB :: 32.6 CG1 :: 21.3 CG2 :: 21.1 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.33 HA :: 4.01 HB :: 2.02 HG11 :: 0.81 HG12 :: 0.81 HG13 :: 0.81 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 :: 119.6 Ave N Shift Values>> N :: 121.14(4.54) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 E 0.37 M 0.12 I 0.03 Q 0.01 K 0.01 C Shift Assignments>> CA :: 58.1 CB :: 31.2 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 :: 7.88 HA :: 4.08 HB2 :: 1.87 HB3 :: 2.00 HG2 :: 2.19 HG3 :: 2.19 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 129.7 Ave N Shift Values>> N :: 120.67(3.48) 2.EMD1 Overall Status: Residue type EMD not supported. 3.CA1 Overall Status: Residue type CA not supported. ########################################################################### Overall Results: #Consistent: 67 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 2 #Indeterminable: 0 Typing Results: #Consistent: 69 #Suspicious: 0 #Mistyped: 2 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 70 #Suspicious: 1 C Shift Results: #Consistent: 215 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 493 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 N Shift Results: #Consistent: 74 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.D15 HB3 = 1.58(S), Expected = 2.66, Std = 0.2800, ChiSquare = 1.1472e-04 1.E25 Typing: Mistyped 1.E25 CB = 40.6(S), Expected = 30.01, Std = 1.7200, ChiSquare = 7.4147e-10 1.E25 HB2 = 2.79(S), Expected = 2.02, Std = 0.2100, ChiSquare = 2.4573e-04 1.E26 Typing: Mistyped 1.E26 CG = 29.4(S), Expected = 36.11, Std = 1.1900, ChiSquare = 1.7138e-08 1.E26 SRO Rule Break>> CG > CB : 0.99165623696287 1.E62 HG2 = 3.06(S), Expected = 2.27, Std = 0.2100, ChiSquare = 1.6862e-04 1.E62 HG3 = 3.06(S), Expected = 2.25, Std = 0.2200, ChiSquare = 2.3158e-04