Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 55.4 CB :: 63.4 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.00 HB2 :: 3.82 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.T3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.98 C Shift Assignments>> CA :: 60.0 CB :: 69.2 CG2 :: 19.5 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.48 HA :: 4.43 HB :: 4.51 HG21 :: 1.27 HG22 :: 1.27 HG23 :: 1.27 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) 1.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 L 0.25 C Shift Assignments>> C :: 175.7 CA :: 56.5 CB :: 39.6 CG :: 23.9 CD1 :: 21.8 CD2 :: 23.1 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.47 HA :: 3.74 HB2 :: 1.46 HB3 :: 1.35 HG :: 1.26 HD11 :: 0.48 HD12 :: 0.48 HD13 :: 0.48 HD21 :: 0.58 HD22 :: 0.58 HD23 :: 0.58 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 :: 121.4 Ave N Shift Values>> N :: 121.86(3.9) 1.Y5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.89 H 0.1 C Shift Assignments>> C :: 176.9 CA :: 59.1 CB :: 36.1 CD1 :: 131.2 CE1 :: 116.8 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 :: 7.50 HA :: 3.94 HB2 :: 2.91 HB3 :: 2.91 HD1 :: 6.97 HE1 :: 6.75 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 :: 115.5 Ave N Shift Values>> N :: 120.52(4.2) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.26 Q 0.17 L 0.16 H 0.1 K 0.1 E 0.09 I 0.07 M 0.01 HN Overlap>> 1.V14 1.V14 C Shift Assignments>> C :: 178.4 CA :: 57.2 CB :: 27.5 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 :: 7.73 HA :: 3.97 HB2 :: 2.08 HB3 :: 2.00 HG2 :: 2.30 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.K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.67 V 0.28 A 0.02 R 0.01 C Shift Assignments>> C :: 176.7 CA :: 57.3 CB :: 30.9 CG :: 23.1 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 :: 8.23 HA :: 4.00 HB2 :: 1.74 HB3 :: 1.78 HG2 :: 1.53 HG3 :: 1.40 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 :: 119.1 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 L 0.21 C Shift Assignments>> C :: 175.0 CA :: 53.9 CB :: 40.2 CG :: 24.9 CD1 :: 21.6 CD2 :: 22.6 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.67 HA :: 4.06 HB2 :: 1.38 HB3 :: 1.25 HG :: 1.30 HD11 :: 0.53 HD12 :: 0.53 HD13 :: 0.53 HD21 :: 0.37 HD22 :: 0.37 HD23 :: 0.37 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 115.3 Ave N Shift Values>> N :: 121.86(3.9) 1.G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 L 0.3 G 0.07 D 0.06 F 0.05 K 0.03 Y 0.03 C Shift Assignments>> C :: 173.5 CA :: 43.4 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.33 HA2 :: 3.70 HA3 :: 4.26 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.7 Ave N Shift Values>> N :: 109.67(3.87) 1.G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 K 0.17 R 0.17 D 0.12 F 0.08 Y 0.05 I 0.02 G 0.01 C Shift Assignments>> C :: 172.5 CA :: 42.5 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.16 HA2 :: 4.28 HA3 :: 3.42 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.T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 S 0.03 HN Overlap>> 1.T52 1.T52 C Shift Assignments>> CA :: 64.0 CB :: 66.8 CG2 :: 20.2 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 :: 8.44 HA :: 3.90 HB :: 4.17 HG21 :: 1.28 HG22 :: 1.28 HG23 :: 1.28 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 :: 113.8 Ave N Shift Values>> N :: 115.42(4.75) 1.T12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 S 0.2 C Shift Assignments>> C :: 174.4 CA :: 64.0 CB :: 66.7 CG2 :: 18.9 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.15 HA :: 4.05 HB :: 4.09 HG21 :: 1.23 HG22 :: 1.23 HG23 :: 1.23 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.6 Ave N Shift Values>> N :: 115.42(4.75) 1.A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 M 0.33 C Shift Assignments>> C :: 177.9 CA :: 52.9 CB :: 17.4 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.32 HA :: 4.14 HB1 :: 1.30 HB2 :: 1.30 HB3 :: 1.30 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.1 Ave N Shift Values>> N :: 123.23(3.54) 1.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.E6 1.E6 C Shift Assignments>> C :: 175.8 CA :: 65.2 CB :: 29.5 CG1 :: 19.9 CG2 :: 21.9 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.77 HA :: 3.35 HB :: 2.09 HG11 :: 0.80 HG12 :: 0.80 HG13 :: 0.80 HG21 :: 0.68 HG22 :: 0.68 HG23 :: 0.68 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.1 Ave N Shift Values>> N :: 121.14(4.54) 1.D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.22 N 0.18 E 0.09 D 0.08 I 0.05 L 0.03 M 0.03 C Shift Assignments>> C :: 177.3 CA :: 56.0 CB :: 38.1 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 :: 8.17 HA :: 4.41 HB2 :: 2.70 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 :: 118.2 Ave N Shift Values>> N :: 120.65(3.86) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.74 A 0.25 C Shift Assignments>> C :: 176.8 CA :: 56.0 CB :: 40.2 CG :: 24.5 CD1 :: 22.6 CD2 :: 22.6 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.71 HA :: 4.34 HB2 :: 1.77 HB3 :: 1.66 HG :: 1.70 HD11 :: 0.98 HD12 :: 0.98 HD13 :: 0.98 HD21 :: 1.00 HD22 :: 1.00 HD23 :: 1.00 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.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.45 C Shift Assignments>> C :: 178.2 CA :: 53.2 CB :: 16.2 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.16 HA :: 4.22 HB1 :: 1.35 HB2 :: 1.35 HB3 :: 1.35 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.1 Ave N Shift Values>> N :: 123.23(3.54) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.0 CA :: 66.4 CB :: 29.4 CG1 :: 19.5 CG2 :: 21.9 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.65 HA :: 3.82 HB :: 2.49 HG11 :: 1.32 HG12 :: 1.32 HG13 :: 1.32 HG21 :: 1.35 HG22 :: 1.35 HG23 :: 1.35 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 :: 116.8 Ave N Shift Values>> N :: 121.14(4.54) 1.D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.34 F 0.28 I 0.08 N 0.08 D 0.07 E 0.06 L 0.04 M 0.02 HN Overlap>> 1.V25 1.V25 1.L92 1.L92 C Shift Assignments>> C :: 177.6 CA :: 56.9 CB :: 38.4 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 :: 8.30 HA :: 4.71 HB2 :: 3.00 HB3 :: 2.90 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 :: 120.1 Ave N Shift Values>> N :: 120.65(3.86) 1.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.95 A 0.02 C Shift Assignments>> C :: 178.0 CA :: 57.3 CB :: 31.2 CG :: 23.6 CD :: 26.7 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.54 HA :: 4.22 HB2 :: 1.94 HG2 :: 1.70 HG3 :: 1.60 HD3 :: 1.74 HE2 :: 3.10 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 :: 118.5 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.2 N 0.16 E 0.14 D 0.06 I 0.05 M 0.04 L 0.02 C Shift Assignments>> C :: 175.4 CA :: 56.1 CB :: 37.8 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 :: 9.02 HA :: 4.93 HB2 :: 3.59 HB3 :: 3.64 HD1 :: 7.29 HE1 :: 7.64 HZ :: 6.57 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.6 Ave N Shift Values>> N :: 120.45(4.18) 1.Y22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.94 H 0.05 C Shift Assignments>> C :: 175.6 CA :: 59.2 CB :: 36.1 CD1 :: 132.3 CE1 :: 117.0 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.42 HA :: 4.36 HB2 :: 3.87 HB3 :: 3.54 HD1 :: 7.54 HE1 :: 7.10 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.7 Ave N Shift Values>> N :: 120.52(4.2) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.4 K 0.3 R 0.16 E 0.07 I 0.02 M 0.01 C Shift Assignments>> C :: 176.9 CA :: 57.5 CB :: 27.7 CG :: 33.9 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 :: 8.01 HA :: 3.69 HB2 :: 2.09 HG2 :: 2.55 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 :: 118.7 Ave N Shift Values>> N :: 120.67(3.48) 1.R24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 L 0.24 R 0.21 C Shift Assignments>> C :: 178.3 CA :: 57.5 CB :: 28.6 CG :: 26.5 CD :: 41.5 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 :: 8.02 HA :: 3.92 HB2 :: 2.13 HB3 :: 1.88 HG2 :: 1.65 HG3 :: 1.41 HD2 :: 3.25 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.3 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.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.D19 1.L92 1.D19 1.L92 C Shift Assignments>> C :: 176.0 CA :: 65.0 CB :: 29.2 CG1 :: 19.4 CG2 :: 22.0 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.25 HA :: 3.46 HB :: 1.98 HG11 :: 0.46 HG12 :: 0.46 HG13 :: 0.46 HG21 :: 0.62 HG22 :: 0.62 HG23 :: 0.62 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 :: 120.2 Ave N Shift Values>> N :: 121.14(4.54) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 L 0.11 C Shift Assignments>> C :: 175.9 CA :: 54.7 CB :: 39.7 CG :: 24.7 CD1 :: 21.3 CD2 :: 22.2 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.30 HA :: 4.02 HB2 :: 1.54 HB3 :: 1.54 HG :: 1.61 HD11 :: 0.91 HD12 :: 0.91 HD13 :: 0.91 HD21 :: 0.88 HD22 :: 0.88 HD23 :: 0.88 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.3 Ave N Shift Values>> N :: 121.86(3.9) 1.Q27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 P 0.29 K 0.12 Q 0.06 M 0.04 C Shift Assignments>> C :: 173.6 CA :: 52.5 CB :: 27.3 CG :: 31.7 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 :: 7.08 HA :: 4.40 HB2 :: 2.20 HB3 :: 1.92 HG2 :: 2.38 HG3 :: 2.26 HE21 :: 6.80 HE22 :: 7.52 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 :: 112.7 NE2 :: 111.5 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.8 D 0.08 Y 0.03 F 0.03 M 0.01 L 0.01 C Shift Assignments>> C :: 174.6 CA :: 51.2 CB :: 37.9 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 :: 7.51 HA :: 4.57 HB2 :: 2.65 HB3 :: 3.31 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.7 Ave N Shift Values>> N :: 120.65(3.86) 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 Y 0.22 F 0.19 D 0.15 L 0.06 E 0.03 I 0.02 M 0.01 HN Overlap>> 1.D39 1.D39 C Shift Assignments>> C :: 175.4 CA :: 55.3 CB :: 38.6 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 :: 8.94 HA :: 4.10 HB2 :: 2.77 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 :: 127.3 Ave N Shift Values>> N :: 120.65(3.86) 1.R30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.77 L 0.2 C Shift Assignments>> C :: 176.5 CA :: 56.8 CB :: 29.3 CG :: 23.6 CD :: 41.5 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 :: 8.44 HA :: 4.10 HB2 :: 1.85 HB3 :: 1.71 HG2 :: 1.71 HD2 :: 2.88 HD3 :: 3.25 HE :: 8.24 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.6 NE :: 83.0 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.I31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> I 0.79 A 0.19 C Shift Assignments>> C :: 175.4 CA :: 58.6 CB :: 40.7 CG1 :: 23.3 CG2 :: 18.4 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 :: 6.86 HA :: 4.40 HB :: 1.59 HG12 :: 0.66 HG13 :: 1.20 HG21 :: 0.57 HG22 :: 0.57 HG23 :: 0.57 HD11 :: 0.41 HD12 :: 0.41 HD13 :: 0.41 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 :: 101.9(S) Ave N Shift Values>> N :: 121.46(4.28) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.85 A 0.08 K 0.05 C Shift Assignments>> C :: 176.4 CA :: 58.3 CB :: 29.0 CG :: 22.2 CD :: 26.7 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.45 HA :: 3.98 HB2 :: 1.94 HG2 :: 1.41 HG3 :: 1.15 HD2 :: 1.62 HE2 :: 2.90 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 :: 121.9 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 C Shift Assignments>> C :: 176.2 CA :: 56.5 CB :: 26.8 CD2 :: 115.8 CE1 :: 136.8 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 :: 8.33 HA :: 4.19 HB2 :: 2.68 HB3 :: 2.66 HD2 :: 6.06 HE1 :: 7.17 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 :: 118.4 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F34 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.34 M 0.13 K 0.11 Y 0.1 Q 0.08 I 0.08 V 0.06 F 0.04 H 0.01 R 0.01 C Shift Assignments>> C :: 173.0 CA :: 58.7 CB :: 35.5 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 6.81 HA :: 3.35 HB2 :: 1.38(S) HB3 :: 1.12(S) HD1 :: 6.03(S) HE1 :: 5.93(S) HZ :: 6.17 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.5 Ave N Shift Values>> N :: 120.45(4.18) 1.F35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.52 F 0.47 C Shift Assignments>> C :: 174.1 CA :: 56.1 CB :: 39.2 CE1 :: 130.1 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 :: 7.15 HA :: 4.72 HB2 :: 2.65 HB3 :: 3.81 HD1 :: 7.65 HE1 :: 8.56(S) HZ :: 6.59 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 :: 112.0 Ave N Shift Values>> N :: 120.45(4.18) 1.A36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.46 I 0.01 HN Overlap>> 1.V100 1.V100 C Shift Assignments>> C :: 176.8 CA :: 53.7 CB :: 16.9 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.37 HA :: 4.18 HB1 :: 1.35 HB2 :: 1.35 HB3 :: 1.35 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.3 Ave N Shift Values>> N :: 123.23(3.54) 1.D37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.7 D 0.15 F 0.04 Y 0.04 L 0.03 C Shift Assignments>> C :: 173.9 CA :: 52.0 CB :: 38.6 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 :: 8.52 HA :: 4.80 HB2 :: 2.46 HB3 :: 2.71 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 114.4 Ave N Shift Values>> N :: 120.65(3.86) 1.V38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.Y61 1.Y61 C Shift Assignments>> C :: 174.6 CA :: 59.9 CB :: 31.2 CG1 :: 20.2 CG2 :: 20.0 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.70 HA :: 4.32 HB :: 2.74 HG11 :: 1.65 HG12 :: 1.65 HG13 :: 1.65 HG21 :: 1.26 HG22 :: 1.26 HG23 :: 1.26 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.3 Ave N Shift Values>> N :: 121.14(4.54) 1.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.33 L 0.13 F 0.09 Y 0.07 K 0.01 HN Overlap>> 1.D29 1.D29 C Shift Assignments>> C :: 175.7 CA :: 53.4 CB :: 40.1 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 :: 8.93 HA :: 4.65 HB2 :: 3.06 HB3 :: 2.81 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 :: 127.3 Ave N Shift Values>> N :: 120.65(3.86) 1.M40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.96 A 0.01 I 0.01 C Shift Assignments>> C :: 176.9 CA :: 58.6 CB :: 30.7 CG :: 29.5 CE :: 14.7 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 :: 9.03 HA :: 4.48 HB2 :: 2.44 HB3 :: 2.37 HG2 :: 2.91 HG3 :: 2.75 HE1 :: 2.28 HE2 :: 2.28 HE3 :: 2.28 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 122.4 Ave N Shift Values>> N :: 120.09(3.57) 1.A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.34 I 0.01 C Shift Assignments>> C :: 180.5 CA :: 53.9 CB :: 16.2 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.76 HA :: 4.40 HB1 :: 1.65 HB2 :: 1.65 HB3 :: 1.65 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.1 Ave N Shift Values>> N :: 123.23(3.54) 1.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.78 V 0.13 R 0.07 C Shift Assignments>> C :: 179.8 CA :: 58.0 CB :: 30.8 CG :: 23.9 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 :: 8.33 HA :: 4.70 HB2 :: 2.41 HB3 :: 2.41 HG2 :: 1.87 HG3 :: 1.74 HE2 :: 2.91 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 :: 120.8 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q43 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.3 K 0.24 Q 0.23 I 0.15 M 0.03 R 0.01 C Shift Assignments>> C :: 178.4 CA :: 60.3 CB :: 29.5 CG :: 34.8 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.47 HA :: 5.82(S) HB2 :: 3.24(S) HB3 :: 3.24(S) HG2 :: 3.40(S) HG3 :: 3.02 HE21 :: 6.77 HE22 :: 7.94 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.1 NE2 :: 111.0 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 L 0.31 R 0.2 C Shift Assignments>> C :: 177.8 CA :: 59.9 CB :: 28.2 CG :: 27.2 CD :: 41.0 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 :: 9.09 HA :: 4.43 HB2 :: 1.95 HB3 :: 2.12 HG2 :: 1.56 HG3 :: 1.61 HD2 :: 3.26 HD3 :: 3.18 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.6 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.A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.37 I 0.01 C Shift Assignments>> C :: 180.8 CA :: 53.9 CB :: 16.4 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.89 HA :: 4.79 HB1 :: 2.07 HB2 :: 2.07 HB3 :: 2.07 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.4 Ave N Shift Values>> N :: 123.23(3.54) 1.H46 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Anomalous N Shifts: Anomalous PRTL>> T 0.73 V 0.26 C Shift Assignments>> C :: 178.6 CA :: 77.7(A) CB :: 24.3 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 :: 10.71(S) HA :: 7.70(S) HB2 :: 10.82(A) HB3 :: 9.20(A) HD1 :: 13.20 HE1 :: -11.60(A) 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 :: 123.0 ND1 :: 135.6(A) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) SRO Rule Breaks>> (H > HB2 : 0.9986) (HA > HB2 : 0.9926) (HA > HB3 : 0.9952) 1.Q47 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> R 0.5 K 0.29 Q 0.14 M 0.05 C Shift Assignments>> C :: 178.5 CA :: 57.0 CB :: 27.5 CG :: 31.8 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 10.47(S) HA :: 6.76(A) HB2 :: 3.25(S) HB3 :: 2.77 HG2 :: 2.82 HG3 :: 1.88 HE21 :: 8.66 HE22 :: 6.08 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 124.0 NE2 :: 111.0 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) SRO Rule Breaks>> (HE22 > HA : 0.9976) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.85 R 0.09 L 0.03 A 0.01 C Shift Assignments>> C :: 177.8 CA :: 59.0 CB :: 30.7 CG :: 23.4 CD :: 27.7 CE :: 39.9 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 :: 9.74 HA :: 4.40 HB2 :: 2.30 HB3 :: 2.54 HG2 :: 1.60 HG3 :: 1.44 HD2 :: 1.81 HE2 :: 3.02 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 :: 121.6 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.3 I 0.01 C Shift Assignments>> C :: 177.9 CA :: 53.4 CB :: 15.0 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.18 HA :: 4.05 HB1 :: 0.96 HB2 :: 0.96 HB3 :: 0.96 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.9 Ave N Shift Values>> N :: 123.23(3.54) 1.F50 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.57 F 0.42 C Shift Assignments>> C :: 175.0 CA :: 60.6 CB :: 37.2 CD1 :: 130.0 CE1 :: 128.6 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.47 HA :: 3.14 HB2 :: 2.73 HB3 :: 3.76 HD1 :: 5.14(S) HE1 :: 5.72(S) HZ :: 5.98 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.3 Ave N Shift Values>> N :: 120.45(4.18) SRO Rule Breaks>> (HA > HB3 : 0.9955) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.99 C Shift Assignments>> C :: 175.5 CA :: 58.1 CB :: 40.6 CG :: 25.7 CD1 :: 24.4 CD2 :: 24.0 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.83 HA :: 3.73 HB2 :: 2.04 HB3 :: 1.93 HG :: 1.56 HD11 :: 0.88 HD12 :: 0.88 HD13 :: 0.88 HD21 :: 0.57 HD22 :: 0.57 HD23 :: 0.57 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 :: 119.9 Ave N Shift Values>> N :: 121.86(3.9) 1.T52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.64 S 0.35 HN Overlap>> 1.T11 1.T11 C Shift Assignments>> C :: 175.1 CA :: 64.9 CB :: 65.9 CG2 :: 19.0 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 :: 8.48 HA :: 3.60 HB :: 4.25 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 :: 113.9 Ave N Shift Values>> N :: 115.42(4.75) 1.Y53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.72 H 0.27 C Shift Assignments>> C :: 175.3 CA :: 58.8 CB :: 35.5 CD1 :: 131.3 CE1 :: 116.4 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 :: 7.86 HA :: 3.78 HB2 :: 2.52 HB3 :: 2.48 HD1 :: 6.34 HE1 :: 6.27 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 :: 122.7 Ave N Shift Values>> N :: 120.52(4.2) 1.A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.41 C Shift Assignments>> C :: 174.1 CA :: 52.5 CB :: 16.4 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.05 HA :: 3.21 HB1 :: 0.93 HB2 :: 0.93 HB3 :: 0.93 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.3 Ave N Shift Values>> N :: 123.23(3.54) 1.F55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.34 H 0.33 F 0.31 C Shift Assignments>> C :: 174.5 CA :: 55.0 CB :: 36.8 CD1 :: 128.4 CZ :: 126.5 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.57 HA :: 4.23 HB2 :: 3.18 HB3 :: 2.96 HD1 :: 7.14 HE1 :: 6.90 HZ :: 6.82 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 :: 111.6 Ave N Shift Values>> N :: 120.45(4.18) 1.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.28 G 0.26 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 174.1 CA :: 44.0 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.77 HA2 :: 3.70 HA3 :: 4.10 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.G57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.36 L 0.29 R 0.22 F 0.04 D 0.03 Y 0.02 C Shift Assignments>> C :: 173.1 CA :: 44.2 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.36 HA2 :: 3.39 HA3 :: 3.98 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.4 Ave N Shift Values>> N :: 109.67(3.87) 1.T58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.55 T 0.43 C Shift Assignments>> C :: 175.4 CA :: 60.5 CB :: 67.0 CG2 :: 19.2 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 :: 7.78 HA :: 4.02 HB :: 4.09 HG21 :: 0.80 HG22 :: 0.80 HG23 :: 0.80 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 :: 112.4 Ave N Shift Values>> N :: 115.42(4.75) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.63 D 0.16 Y 0.06 F 0.06 L 0.04 C Shift Assignments>> C :: 174.9 CA :: 52.8 CB :: 38.6 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 :: 8.33 HA :: 4.42 HB2 :: 2.54 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 :: 121.6 Ave N Shift Values>> N :: 120.65(3.86) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 L 0.06 R 0.01 C Shift Assignments>> C :: 174.0 CA :: 54.3 CB :: 30.3 CG :: 22.2 CD :: 26.4 CE :: 39.9 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 :: 7.66 HA :: 3.98 HB2 :: 1.32 HG2 :: 1.04 HG3 :: 1.00 HD2 :: 1.38 HE2 :: 2.75 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.Y61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 M 0.19 N 0.12 Y 0.1 K 0.06 F 0.06 Q 0.04 I 0.01 HN Overlap>> 1.V38 1.V38 C Shift Assignments>> C :: 172.5 CA :: 55.3 CB :: 36.2 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 :: 7.72 HA :: 4.21 HB2 :: 2.62 HB3 :: 2.52 HD1 :: 6.54 HE1 :: 6.31 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.3 Ave N Shift Values>> N :: 120.52(4.2) 1.D62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.36 L 0.11 F 0.04 Y 0.03 K 0.01 C Shift Assignments>> C :: 174.7 CA :: 51.2 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 :: 7.97 HA :: 4.68 HB2 :: 2.77 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 :: 123.6 Ave N Shift Values>> N :: 120.65(3.86) 1.G63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 174.5 CA :: 46.6 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.87 HA2 :: 3.93 HA3 :: 4.22 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.6 Ave N Shift Values>> N :: 109.67(3.87) 1.R64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 K 0.48 R 0.01 C Shift Assignments>> C :: 177.5 CA :: 58.0 CB :: 27.6 CG :: 24.9 CD :: 41.4 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 :: 8.24 HA :: 4.29 HB2 :: 2.07 HG2 :: 1.89 HG3 :: 1.75 HD2 :: 3.31 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 :: 121.2 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Y65 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.55 H 0.44 C Shift Assignments>> C :: 176.5 CA :: 56.9 CB :: 36.0 CD1 :: 131.2 CE1 :: 115.2 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 :: 7.89 HA :: 4.60 HB2 :: 2.91 HB3 :: 3.09 HD1 :: 6.66 HE1 :: 5.66(S) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.1 Ave N Shift Values>> N :: 120.52(4.2) 1.M66 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> M 0.92 A 0.05 I 0.02 C Shift Assignments>> C :: 179.9 CA :: 57.7 CB :: 34.6 CG :: 31.7 CE :: 17.5 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.62 HA :: 5.82 HB2 :: 3.97(A) HB3 :: 3.36(A) HG2 :: 3.34 HG3 :: 2.71 HE1 :: 0.45 HE2 :: 0.45 HE3 :: 0.45 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 :: 116.1 Ave N Shift Values>> N :: 120.09(3.57) 1.R67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.63 K 0.34 G 0.01 C Shift Assignments>> C :: 179.3 CA :: 58.5 CB :: 30.1 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 :: 9.25 HA :: 6.18(S) HB2 :: 2.68(S) HB3 :: 2.74(S) HG2 :: 2.61(S) HD2 :: 3.76 HD3 :: 3.60 HE :: 7.96 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 :: 122.7 NE :: 85.2 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 K 0.29 R 0.15 E 0.08 I 0.04 M 0.01 C Shift Assignments>> C :: 178.5 CA :: 58.3 CB :: 27.7 CG :: 34.0 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.98 HA :: 4.47 HB2 :: 2.36 HB3 :: 2.25 HG2 :: 2.58 HG3 :: 2.50 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 :: 119.9 Ave N Shift Values>> N :: 120.67(3.48) 1.A69 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.59 A 0.37 I 0.02 C Shift Assignments>> C :: 178.0 CA :: 52.5 CB :: 14.5 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.62 HA :: 3.46 HB1 :: -0.48(S) HB2 :: -0.48(S) HB3 :: -0.48(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.1 Ave N Shift Values>> N :: 123.23(3.54) 1.H70 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Anomalous N Shifts: Anomalous PRTL>> T 0.85 V 0.13 C Shift Assignments>> C :: 173.1 CA :: 69.1(A) CB :: 23.8 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.90 HA :: 6.75(S) HB2 :: 8.92(A) HB3 :: 9.62(A) HD1 :: 15.00 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 113.0 ND1 :: 133.8(A) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) SRO Rule Breaks>> (HA > HB2 : 0.9926) (HA > HB3 : 0.9952) 1.K71 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.91 R 0.07 C Shift Assignments>> C :: 176.7 CA :: 60.1 CB :: 31.5 CG :: 22.9 CD :: 28.4 CE :: 40.2 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.57 HA :: 4.86 HB2 :: 2.79(S) HB3 :: 2.31 HG2 :: 1.79 HG3 :: 1.68 HD2 :: 2.00 HD3 :: 1.97 HE2 :: 2.66 HE3 :: 3.22 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 :: 125.2 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (HE2 > HB2 : 0.9970) 1.E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 E 0.24 K 0.17 I 0.13 R 0.09 C Shift Assignments>> C :: 178.3 CA :: 58.0 CB :: 27.2 CG :: 35.0 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.92 HA :: 4.25 HB2 :: 2.03 HB3 :: 2.00 HG2 :: 2.26 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 :: 118.4 Ave N Shift Values>> N :: 120.67(3.48) 1.L73 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.87 L 0.11 C Shift Assignments>> C :: 178.9 CA :: 55.6 CB :: 41.3 CG :: 23.5 CD1 :: 24.4 CD2 :: 21.1 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.79 HA :: 3.98 HB2 :: 2.34 HB3 :: 0.84 HG :: 1.44 HD11 :: -1.14(S) HD12 :: -1.14(S) HD13 :: -1.14(S) HD21 :: -0.16 HD22 :: -0.16 HD23 :: -0.16 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.4 Ave N Shift Values>> N :: 121.86(3.9) 1.V74 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.0 CA :: 64.8 CB :: 31.1 CG1 :: 19.4 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 :: 8.50 HA :: 3.96 HB :: 2.80 HG11 :: 1.38 HG12 :: 1.38 HG13 :: 1.38 HG21 :: 1.90(S) HG22 :: 1.90(S) HG23 :: 1.90(S) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.6 Ave N Shift Values>> N :: 121.14(4.54) 1.E75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.36 K 0.32 E 0.19 R 0.05 I 0.04 M 0.01 C Shift Assignments>> C :: 177.0 CA :: 57.9 CB :: 28.5 CG :: 34.5 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 :: 8.88 HA :: 4.17 HB2 :: 2.08 HB3 :: 1.96 HG2 :: 2.63 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 :: 116.7 Ave N Shift Values>> N :: 120.67(3.48) 1.N76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.73 D 0.13 F 0.04 Y 0.04 L 0.02 HN Overlap>> 1.L122 1.L122 C Shift Assignments>> C :: 174.5 CA :: 51.7 CB :: 38.5 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.42 HA :: 4.95 HB2 :: 2.53 HB3 :: 2.33 HD21 :: 7.00 HD22 :: 7.75 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 :: 113.3 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.23 Q 0.21 R 0.17 K 0.16 E 0.1 M 0.08 L 0.02 C Shift Assignments>> C :: 173.9 CA :: 53.6 CB :: 29.4 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 :: 7.21 HA :: 4.88 HB2 :: 3.04 HB3 :: 3.36 HD2 :: 6.94 HE1 :: 8.02 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 :: 114.4 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.09 R 0.01 HN Overlap>> 1.G99 1.G99 C Shift Assignments>> C :: 173.1 CA :: 45.3 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.89 HA2 :: 3.91 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 :: 107.3 Ave N Shift Values>> N :: 109.67(3.87) 1.L79 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.74 A 0.25 C Shift Assignments>> C :: 175.2 CA :: 54.4 CB :: 39.5 CG :: 24.2 CD1 :: 23.5 CD2 :: 23.6 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.35 HA :: 4.30 HB2 :: 0.36(S) HB3 :: 1.46 HG :: 1.09 HD11 :: -1.08(S) HD12 :: -1.08(S) HD13 :: -1.08(S) HD21 :: 0.66 HD22 :: 0.66 HD23 :: 0.66 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 :: 119.9 Ave N Shift Values>> N :: 121.86(3.9) 1.N80 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.78 D 0.12 F 0.03 Y 0.02 L 0.02 C Shift Assignments>> C :: 174.7 CA :: 50.5 CB :: 38.6 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 :: 11.21(S) HA :: 4.98 HB2 :: 3.08 HB3 :: 2.79 HD21 :: 6.56 HD22 :: 7.28 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 :: 130.4 ND2 :: 111.1 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 173.8 CA :: 46.1 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.70 HA2 :: 3.87 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 :: 104.7 Ave N Shift Values>> N :: 109.67(3.87) 1.E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.4 K 0.26 R 0.17 E 0.11 I 0.05 C Shift Assignments>> C :: 178.6 CA :: 57.2 CB :: 26.7 CG :: 34.5 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 :: 8.07 HA :: 3.90 HB2 :: 1.76 HB3 :: 1.68 HG2 :: 1.95 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 :: 120.1 Ave N Shift Values>> N :: 120.67(3.48) 1.H83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.19 H 0.19 Q 0.18 R 0.17 K 0.14 M 0.06 I 0.02 C Shift Assignments>> C :: 175.5 CA :: 57.1 CB :: 29.8 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 :: 7.21 HA :: 3.59 HB2 :: 2.82 HB3 :: 1.92 HD2 :: 6.72 HE1 :: 7.78 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 :: 120.6 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F84 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.28 E 0.24 I 0.21 F 0.18 M 0.03 K 0.01 C Shift Assignments>> C :: 174.7 CA :: 58.8 CB :: 37.2 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 :: 7.02 HA :: 2.38(S) HB2 :: 3.17 HB3 :: 2.10 HD1 :: 6.74 HE1 :: 7.28 HZ :: 7.36 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 116.7 Ave N Shift Values>> N :: 120.45(4.18) SRO Rule Breaks>> (HA > HB2 : 0.9952) 1.D85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 E 0.21 Y 0.17 F 0.12 M 0.09 D 0.04 I 0.02 K 0.01 L 0.01 C Shift Assignments>> C :: 176.4 CA :: 55.1 CB :: 37.2 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 :: 8.24 HA :: 4.02 HB2 :: 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 :: 118.1 Ave N Shift Values>> N :: 120.65(3.86) 1.A86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.73 A 0.23 I 0.02 C Shift Assignments>> C :: 176.4 CA :: 53.9 CB :: 15.0 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.40 HA :: 3.70 HB1 :: 1.10 HB2 :: 1.10 HB3 :: 1.10 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.V87 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> I 0.93 V 0.06 C Shift Assignments>> C :: 175.9 CA :: 64.5 CB :: 27.5 CG1 :: 17.2 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 :: 6.64 HA :: 2.71 HB :: 0.21(S) HG11 :: -1.33(A) HG12 :: -1.33(A) HG13 :: -1.33(A) HG21 :: -0.83(S) HG22 :: -0.83(S) HG23 :: -0.83(S) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 115.9 Ave N Shift Values>> N :: 121.14(4.54) 1.A88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.66 A 0.31 I 0.01 C Shift Assignments>> C :: 177.2 CA :: 53.6 CB :: 15.5 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.98 HA :: 3.47 HB1 :: 1.11 HB2 :: 1.11 HB3 :: 1.11 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.6 Ave N Shift Values>> N :: 123.23(3.54) 1.E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.41 K 0.29 R 0.19 E 0.06 I 0.02 M 0.02 C Shift Assignments>> C :: 177.8 CA :: 57.4 CB :: 27.6 CG :: 33.8 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 :: 8.44 HA :: 3.64 HB2 :: 1.95 HG2 :: 2.25 HG3 :: 2.00 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 :: 118.9 Ave N Shift Values>> N :: 120.67(3.48) 1.D90 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.34 Q 0.24 K 0.16 E 0.09 N 0.04 H 0.03 R 0.03 Y 0.01 HN Overlap>> 1.K96 1.K96 C Shift Assignments>> C :: 176.5 CA :: 53.9 CB :: 34.7(S) 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 :: 8.21 HA :: 4.36 HB2 :: 3.12 HB3 :: 2.32 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.L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.95 L 0.02 V 0.01 C Shift Assignments>> C :: 176.3 CA :: 56.4 CB :: 37.3 CG :: 25.5 CD1 :: 20.3 CD2 :: 24.5 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.00 HA :: 3.40 HB2 :: 0.68 HB3 :: 1.82 HG :: 1.05 HD11 :: 0.35 HD12 :: 0.35 HD13 :: 0.35 HD21 :: 0.57 HD22 :: 0.57 HD23 :: 0.57 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.9 Ave N Shift Values>> N :: 121.86(3.9) 1.L92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 L 0.31 V 0.1 HN Overlap>> 1.V25 1.D19 1.V25 1.D19 C Shift Assignments>> C :: 177.8 CA :: 56.8 CB :: 38.1 CG :: 24.3 CD1 :: 22.7 CD2 :: 22.2 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.23 HA :: 3.67 HB2 :: 1.80 HB3 :: 1.32 HG :: 1.76 HD11 :: 0.74 HD12 :: 0.74 HD13 :: 0.74 HD21 :: 0.60 HD22 :: 0.60 HD23 :: 0.60 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.A93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.45 C Shift Assignments>> C :: 179.2 CA :: 53.2 CB :: 16.2 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.60 HA :: 4.03 HB1 :: 1.43 HB2 :: 1.43 HB3 :: 1.43 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.4 Ave N Shift Values>> N :: 123.23(3.54) 1.T94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 S 0.02 C Shift Assignments>> C :: 174.4 CA :: 65.6 CB :: 67.0 CG2 :: 18.8 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.51 HA :: 3.92 HB :: 4.56 HG21 :: 1.35 HG22 :: 1.35 HG23 :: 1.35 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 :: 116.4 Ave N Shift Values>> N :: 115.42(4.75) 1.L95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.99 C Shift Assignments>> C :: 177.3 CA :: 55.9 CB :: 38.6 CG :: 23.9 CD1 :: 25.0 CD2 :: 19.3 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 :: 8.01 HA :: 4.00 HB2 :: 1.90 HB3 :: 1.13 HG :: 2.02 HD11 :: 0.79 HD12 :: 0.79 HD13 :: 0.79 HD21 :: 0.88 HD22 :: 0.88 HD23 :: 0.88 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.1 Ave N Shift Values>> N :: 121.86(3.9) 1.K96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.38 L 0.35 K 0.2 I 0.04 HN Overlap>> 1.D90 1.D90 C Shift Assignments>> C :: 179.2 CA :: 57.8 CB :: 30.2 CG :: 22.6 CE :: 39.5 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.17 HA :: 3.97 HB2 :: 1.88 HB3 :: 1.80 HG2 :: 1.47 HG3 :: 1.39 HD2 :: 1.62 HE2 :: 2.89 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.3 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.36 E 0.23 K 0.21 R 0.1 I 0.07 C Shift Assignments>> C :: 176.8 CA :: 57.3 CB :: 27.4 CG :: 34.9 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 :: 7.95 HA :: 4.04 HB2 :: 2.20 HG2 :: 2.30 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.4 Ave N Shift Values>> N :: 120.67(3.48) 1.M98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.9 A 0.09 C Shift Assignments>> C :: 175.0 CA :: 54.9 CB :: 32.5 CG :: 30.2 CE :: 14.3 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 :: 4.27 HB2 :: 2.14 HB3 :: 2.40 HG2 :: 2.68 HG3 :: 2.60 HE1 :: 2.10 HE2 :: 2.10 HE3 :: 2.10 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 :: 115.8 Ave N Shift Values>> N :: 120.09(3.57) 1.G99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.28 G 0.26 F 0.04 D 0.04 Y 0.02 HN Overlap>> 1.G78 1.G78 C Shift Assignments>> C :: 173.3 CA :: 44.0 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.86 HA2 :: 3.79 HA3 :: 3.98 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.3 Ave N Shift Values>> N :: 109.67(3.87) 1.V100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 A 0.08 HN Overlap>> 1.A36 1.A36 C Shift Assignments>> C :: 171.7 CA :: 59.2 CB :: 29.2 CG1 :: 19.5 CG2 :: 20.2 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 :: 7.45 HA :: 4.12 HB :: 1.77 HG11 :: 1.01 HG12 :: 1.01 HG13 :: 1.01 HG21 :: 1.01 HG22 :: 1.01 HG23 :: 1.01 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.3 Ave N Shift Values>> N :: 121.14(4.54) 1.P101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.96 G 0.03 C Shift Assignments>> C :: 176.4 CA :: 61.6 CB :: 31.0 CG :: 25.6 CD :: 48.9 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.36 HB2 :: 2.03 HB3 :: 2.45 HG2 :: 2.09 HD2 :: 3.59 HD3 :: 3.96 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.E102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.25 E 0.2 R 0.09 I 0.08 C Shift Assignments>> C :: 176.7 CA :: 58.1 CB :: 27.7 CG :: 34.7 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 :: 8.81 HA :: 3.73 HB2 :: 2.02 HG2 :: 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 :: 121.8 Ave N Shift Values>> N :: 120.67(3.48) 1.D103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.27 E 0.27 M 0.15 Y 0.11 F 0.07 K 0.03 D 0.02 Q 0.01 I 0.01 C Shift Assignments>> C :: 176.8 CA :: 54.6 CB :: 36.6 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 :: 8.92 HA :: 4.25 HB2 :: 2.58 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 :: 117.4 Ave N Shift Values>> N :: 120.65(3.86) 1.L104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 A 0.29 C Shift Assignments>> C :: 177.1 CA :: 55.3 CB :: 39.1 CG :: 25.2 CD1 :: 22.9 CD2 :: 22.5 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.22 HA :: 4.18 HB2 :: 1.60 HB3 :: 1.54 HG :: 1.51 HD11 :: 0.85 HD12 :: 0.85 HD13 :: 0.85 HD21 :: 0.79 HD22 :: 0.79 HD23 :: 0.79 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 :: 122.1 Ave N Shift Values>> N :: 121.86(3.9) 1.I105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.7 CA :: 64.5 CB :: 34.7 CG1 :: 26.9 CG2 :: 16.0 CD1 :: 11.6 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 :: 7.72 HA :: 3.15 HB :: 1.82 HG12 :: 0.59 HG13 :: 1.62 HG21 :: 0.82 HG22 :: 0.82 HG23 :: 0.82 HD11 :: 0.66 HD12 :: 0.66 HD13 :: 0.66 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 :: 119.1 Ave N Shift Values>> N :: 121.46(4.28) 1.A106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.38 C Shift Assignments>> C :: 179.3 CA :: 53.2 CB :: 15.6 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.85 HA :: 3.98 HB1 :: 1.35 HB2 :: 1.35 HB3 :: 1.35 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.6 Ave N Shift Values>> N :: 123.23(3.54) 1.E107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.41 K 0.27 R 0.17 E 0.08 I 0.03 M 0.01 HN Overlap>> 1.K118 1.K118 C Shift Assignments>> C :: 177.7 CA :: 57.8 CB :: 27.5 CG :: 34.0 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 :: 7.31 HA :: 3.96 HB2 :: 2.03 HG2 :: 2.38 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 :: 119.0 Ave N Shift Values>> N :: 120.67(3.48) 1.V108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 I 0.03 C Shift Assignments>> C :: 176.7 CA :: 63.4 CB :: 28.9 CG1 :: 19.3 CG2 :: 19.8 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 :: 7.85 HA :: 3.50 HB :: 1.79 HG11 :: 0.44 HG12 :: 0.44 HG13 :: 0.44 HG21 :: 0.24 HG22 :: 0.24 HG23 :: 0.24 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.7 Ave N Shift Values>> N :: 121.14(4.54) 1.A109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.44 C Shift Assignments>> C :: 179.0 CA :: 53.4 CB :: 16.4 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.75 HA :: 3.72 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 :: 121.3 Ave N Shift Values>> N :: 123.23(3.54) 1.A110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.42 C Shift Assignments>> C :: 178.4 CA :: 52.5 CB :: 16.3 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.35 HA :: 4.04 HB1 :: 1.44 HB2 :: 1.44 HB3 :: 1.44 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.4 Ave N Shift Values>> N :: 123.23(3.54) 1.V111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.8 CA :: 63.9 CB :: 29.6 CG1 :: 19.8 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 :: 7.37 HA :: 3.64 HB :: 2.15 HG11 :: 0.44 HG12 :: 0.44 HG13 :: 0.44 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 :: 118.7 Ave N Shift Values>> N :: 121.14(4.54) 1.A112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.41 C Shift Assignments>> C :: 176.9 CA :: 52.9 CB :: 15.5 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.77 HA :: 3.74 HB1 :: 1.10 HB2 :: 1.10 HB3 :: 1.10 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.3 Ave N Shift Values>> N :: 123.23(3.54) 1.G113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.24 K 0.13 D 0.1 F 0.07 Y 0.04 G 0.01 I 0.01 C Shift Assignments>> C :: 172.4 CA :: 42.7 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.53 HA2 :: 4.26 HA3 :: 3.54 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 99.3 Ave N Shift Values>> N :: 109.67(3.87) 1.A114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 G 0.2 M 0.17 C Shift Assignments>> C :: 176.1 CA :: 49.2 CB :: 15.0 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.18 HA :: 4.40 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 :: 125.3 Ave N Shift Values>> N :: 123.23(3.54) 1.P115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.96 G 0.02 C Shift Assignments>> CA :: 63.9 CB :: 30.2 CG :: 25.1 CD :: 49.2 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 :: 4.08 HB2 :: 1.93 HB3 :: 2.34 HG2 :: 2.09 HG3 :: 2.03 HD2 :: 3.78 HD3 :: 3.97 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.A116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.36 I 0.01 C Shift Assignments>> C :: 177.8 CA :: 53.8 CB :: 16.2 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.51 HA :: 4.08 HB1 :: 1.37 HB2 :: 1.37 HB3 :: 1.37 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.1 Ave N Shift Values>> N :: 123.23(3.54) 1.H117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.22 K 0.21 H 0.17 E 0.14 R 0.12 L 0.06 M 0.03 I 0.02 C Shift Assignments>> C :: 176.1 CA :: 56.0 CB :: 28.6 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.38 HA :: 5.04 HB2 :: 3.40 HD2 :: 6.79 HE1 :: 7.78 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 :: 115.4 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K118 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.49 A 0.32 R 0.12 L 0.03 M 0.02 HN Overlap>> 1.E107 1.E107 C Shift Assignments>> C :: 175.9 CA :: 57.3 CB :: 30.8 CG :: 22.5 CD :: 27.9 CE :: 39.9 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 :: 7.33 HA :: 3.51 HB2 :: 1.43 HB3 :: 1.05 HG2 :: 0.47(S) HG3 :: 0.03(S) HD2 :: 1.15 HD3 :: 1.29 HE2 :: 2.62 HE3 :: 2.41 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 :: 119.0 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.65 L 0.21 R 0.12 C Shift Assignments>> C :: 176.6 CA :: 58.1 CB :: 28.7 CG :: 25.8 CD :: 41.5 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 :: 7.76 HA :: 4.10 HB2 :: 2.02 HG2 :: 1.89 HG3 :: 1.66 HD2 :: 3.20 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 :: 115.5 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.D120 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.29 F 0.29 D 0.15 L 0.1 N 0.08 I 0.05 C Shift Assignments>> C :: 178.2 CA :: 56.6 CB :: 39.5 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.96 HA :: 5.26 HB2 :: 3.65(S) HB3 :: 3.54 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 :: 117.2 Ave N Shift Values>> N :: 120.65(3.86) 1.V121 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.2 CA :: 68.2 CB :: 31.7 CG1 :: 22.1 CG2 :: 25.7 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.07 HA :: 6.95(A) HB :: 3.39(A) HG11 :: 3.46(A) HG12 :: 3.46(A) HG13 :: 3.46(A) HG21 :: 3.64(A) HG22 :: 3.64(A) HG23 :: 3.64(A) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.4 Ave N Shift Values>> N :: 121.14(4.54) 1.L122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.99 HN Overlap>> 1.N76 1.N76 C Shift Assignments>> C :: 175.1 CA :: 53.2 CB :: 38.6 CG :: 24.4 CD1 :: 23.6 CD2 :: 19.7 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.47 HA :: 4.99 HB2 :: 1.95 HB3 :: 1.93 HG :: 2.11 HD11 :: 0.73 HD12 :: 0.73 HD13 :: 0.73 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 :: 110.9 Ave N Shift Values>> N :: 121.86(3.9) 1.N123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.3 M 0.25 E 0.18 K 0.07 Q 0.07 Y 0.05 F 0.02 H 0.01 C Shift Assignments>> C :: 173.0 CA :: 53.2 CB :: 35.8 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.26 HA :: 4.76 HB2 :: 3.70 HB3 :: 3.60 HD21 :: 8.02 HD22 :: 8.65 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.8 ND2 :: 110.4 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 Q 0.31 R 0.17 M 0.1 C Shift Assignments>> C :: 179.9 CA :: 55.3 CB :: 28.6 CG :: 32.7 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 :: 8.98 HA :: 4.40 HB2 :: 2.02 HB3 :: 2.37 HG2 :: 2.51 HE21 :: 6.69 HE22 :: 7.65 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.1 NE2 :: 110.3 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.HEM1 Overall Status: Residue type HEM not supported. ########################################################################### Overall Results: #Consistent: 101 #Clerical: 0 #Suspicious: 16 #Anomalous: 4 #Mistyped: 3 #Indeterminable: 0 Typing Results: #Consistent: 120 #Suspicious: 0 #Mistyped: 3 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 118 #Suspicious: 6 C Shift Results: #Consistent: 491 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 2 H Shift Results: #Consistent: 734 #Duplicate: 0 #Unknown: 0 #Suspicious: 44 #Anomalous: 19 N Shift Results: #Consistent: 127 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 2 Error Summary: 1.I31 N = 101.9(S), Expected = 121.46, Std = 4.2800, ChiSquare = 4.8751e-06 1.F34 HB2 = 1.38(S), Expected = 3.00, Std = 0.3700, ChiSquare = 1.1957e-05 1.F34 HB3 = 1.12(S), Expected = 2.93, Std = 0.4000, ChiSquare = 6.0396e-06 1.F34 HD1 = 6.03(S), Expected = 7.06, Std = 0.3100, ChiSquare = 8.9189e-04 1.F34 HE1 = 5.93(S), Expected = 7.08, Std = 0.3100, ChiSquare = 2.0752e-04 1.F35 HE1 = 8.56(S), Expected = 7.08, Std = 0.3100, ChiSquare = 1.8043e-06 1.Q43 HA = 5.82(S), Expected = 4.27, Std = 0.4400, ChiSquare = 4.2713e-04 1.Q43 HB2 = 3.24(S), Expected = 2.05, Std = 0.2500, ChiSquare = 1.9359e-06 1.Q43 HB3 = 3.24(S), Expected = 2.02, Std = 0.2800, ChiSquare = 1.3177e-05 1.Q43 HG2 = 3.40(S), Expected = 2.32, Std = 0.2700, ChiSquare = 6.3342e-05 1.H46 Typing: Mistyped 1.H46 CA = 77.7(A), Expected = 56.52, Std = 2.3100, ChiSquare = 4.7818e-20 1.H46 H = 10.71(S), Expected = 8.24, Std = 0.6800, ChiSquare = 2.8085e-04 1.H46 HA = 7.70(S), Expected = 4.61, Std = 0.4300, ChiSquare = 6.6694e-13 1.H46 HB2 = 10.82(A), Expected = 3.10, Std = 0.3600, ChiSquare = 0.0000e+00 1.H46 HB3 = 9.20(A), Expected = 3.04, Std = 0.3800, ChiSquare = 4.2491e-59 1.H46 HE1 = -11.60(A), Expected = 7.95, Std = 0.4800, ChiSquare = 0.0000e+00 1.H46 ND1 = 135.6(A), Expected = 195.02, Std = 18.5100, ChiSquare = 1.3266e-03 1.H46 SRO Rule Break>> H > HB2 : 0.998586572438163 1.H46 SRO Rule Break>> HA > HB2 : 0.992622401073105 1.H46 SRO Rule Break>> HA > HB3 : 0.995208761122519 1.Q47 H = 10.47(S), Expected = 8.22, Std = 0.5900, ChiSquare = 1.3698e-04 1.Q47 HA = 6.76(A), Expected = 4.27, Std = 0.4400, ChiSquare = 1.5218e-08 1.Q47 HB2 = 3.25(S), Expected = 2.05, Std = 0.2500, ChiSquare = 1.5867e-06 1.Q47 SRO Rule Break>> HE22 > HA : 0.997619047619048 1.F50 HD1 = 5.14(S), Expected = 7.06, Std = 0.3100, ChiSquare = 5.8825e-10 1.F50 HE1 = 5.72(S), Expected = 7.08, Std = 0.3100, ChiSquare = 1.1487e-05 1.F50 SRO Rule Break>> HA > HB3 : 0.99548625359048 1.Y65 HE1 = 5.66(S), Expected = 6.70, Std = 0.2300, ChiSquare = 6.1334e-06 1.M66 HB2 = 3.97(A), Expected = 2.03, Std = 0.3400, ChiSquare = 1.1574e-08 1.M66 HB3 = 3.36(A), Expected = 1.99, Std = 0.3400, ChiSquare = 5.5917e-05 1.R67 HA = 6.18(S), Expected = 4.30, Std = 0.4600, ChiSquare = 4.3707e-05 1.R67 HB2 = 2.68(S), Expected = 1.79, Std = 0.2700, ChiSquare = 9.7969e-04 1.R67 HB3 = 2.74(S), Expected = 1.76, Std = 0.2800, ChiSquare = 4.6526e-04 1.R67 HG2 = 2.61(S), Expected = 1.57, Std = 0.2700, ChiSquare = 1.1723e-04 1.A69 HB1 = -0.48(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.9437e-12 1.A69 HB2 = -0.48(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.9437e-12 1.A69 HB3 = -0.48(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.9437e-12 1.H70 Typing: Mistyped 1.H70 CA = 69.1(A), Expected = 56.52, Std = 2.3100, ChiSquare = 5.1548e-08 1.H70 HA = 6.75(S), Expected = 4.61, Std = 0.4300, ChiSquare = 6.4663e-07 1.H70 HB2 = 8.92(A), Expected = 3.10, Std = 0.3600, ChiSquare = 8.6662e-59 1.H70 HB3 = 9.62(A), Expected = 3.04, Std = 0.3800, ChiSquare = 3.5758e-67 1.H70 ND1 = 133.8(A), Expected = 195.02, Std = 18.5100, ChiSquare = 9.4166e-04 1.H70 SRO Rule Break>> HA > HB2 : 0.992622401073105 1.H70 SRO Rule Break>> HA > HB3 : 0.995208761122519 1.K71 HB2 = 2.79(S), Expected = 1.78, Std = 0.2500, ChiSquare = 5.3451e-05 1.K71 SRO Rule Break>> HE2 > HB2 : 0.997029997029997 1.L73 HD11 = -1.14(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.4785e-11 1.L73 HD12 = -1.14(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.4785e-11 1.L73 HD13 = -1.14(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.4785e-11 1.V74 HG21 = 1.90(S), Expected = 0.80, Std = 0.2800, ChiSquare = 8.5452e-05 1.V74 HG22 = 1.90(S), Expected = 0.80, Std = 0.2800, ChiSquare = 8.5452e-05 1.V74 HG23 = 1.90(S), Expected = 0.80, Std = 0.2800, ChiSquare = 8.5452e-05 1.L79 HB2 = 0.36(S), Expected = 1.61, Std = 0.3400, ChiSquare = 2.3648e-04 1.L79 HD11 = -1.08(S), Expected = 0.75, Std = 0.2800, ChiSquare = 6.3307e-11 1.L79 HD12 = -1.08(S), Expected = 0.75, Std = 0.2800, ChiSquare = 6.3307e-11 1.L79 HD13 = -1.08(S), Expected = 0.75, Std = 0.2800, ChiSquare = 6.3307e-11 1.N80 H = 11.21(S), Expected = 8.34, Std = 0.6300, ChiSquare = 5.2247e-06 1.F84 HA = 2.38(S), Expected = 4.63, Std = 0.5700, ChiSquare = 7.9015e-05 1.F84 SRO Rule Break>> HA > HB2 : 0.995201919232307 1.V87 HB = 0.21(S), Expected = 1.98, Std = 0.3200, ChiSquare = 3.1796e-08 1.V87 HG11 = -1.33(A), Expected = 0.83, Std = 0.2600, ChiSquare = 9.7581e-17 1.V87 HG12 = -1.33(A), Expected = 0.83, Std = 0.2600, ChiSquare = 9.7581e-17 1.V87 HG13 = -1.33(A), Expected = 0.83, Std = 0.2600, ChiSquare = 9.7581e-17 1.V87 HG21 = -0.83(S), Expected = 0.80, Std = 0.2800, ChiSquare = 5.8347e-09 1.V87 HG22 = -0.83(S), Expected = 0.80, Std = 0.2800, ChiSquare = 5.8347e-09 1.V87 HG23 = -0.83(S), Expected = 0.80, Std = 0.2800, ChiSquare = 5.8347e-09 1.D90 Typing: Mistyped 1.D90 CB = 34.7(S), Expected = 40.88, Std = 1.6200, ChiSquare = 1.3629e-04 1.K118 HG2 = 0.47(S), Expected = 1.37, Std = 0.2600, ChiSquare = 5.3710e-04 1.K118 HG3 = 0.03(S), Expected = 1.35, Std = 0.2800, ChiSquare = 2.4256e-06 1.D120 HB2 = 3.65(S), Expected = 2.72, Std = 0.2600, ChiSquare = 3.4766e-04 1.V121 HA = 6.95(A), Expected = 4.19, Std = 0.5800, ChiSquare = 1.9492e-06 1.V121 HB = 3.39(A), Expected = 1.98, Std = 0.3200, ChiSquare = 1.0518e-05 1.V121 HG11 = 3.46(A), Expected = 0.83, Std = 0.2600, ChiSquare = 4.7216e-24 1.V121 HG12 = 3.46(A), Expected = 0.83, Std = 0.2600, ChiSquare = 4.7216e-24 1.V121 HG13 = 3.46(A), Expected = 0.83, Std = 0.2600, ChiSquare = 4.7216e-24 1.V121 HG21 = 3.64(A), Expected = 0.80, Std = 0.2800, ChiSquare = 3.5652e-24 1.V121 HG22 = 3.64(A), Expected = 0.80, Std = 0.2800, ChiSquare = 3.5652e-24 1.V121 HG23 = 3.64(A), Expected = 0.80, Std = 0.2800, ChiSquare = 3.5652e-24