G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 H 0.42 W 0.09 C Shift Assignments>> CA :: 54.73 CB :: 31.87 CD2 :: 117.53 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> HA :: 4.14 HB2 :: 3.11 HB3 :: 2.85 HD2 :: 6.92 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 121.66 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) M4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 C 0.35 A 0.19 HN Overlap>> H75 C Shift Assignments>> CA :: 54.98 CB :: 32.98 CG :: 31.50 CE :: 17.07 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.30 HA :: 4.43 HB2 :: 1.96 HB3 :: 1.99 HG2 :: 2.10 HG3 :: 2.26 HE :: 2.11 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.50 Ave N Shift Values>> N :: 120.1(3.88) I5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 C Shift Assignments>> CA :: 61.27 CB :: 38.78 CG1 :: 27.23 CG2 :: 17.62 CD1 :: 13.12 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.18 HA :: 4.17 HB :: 1.85 HG2 :: 0.88 HG12 :: 1.43 HG13 :: 1.14 HD1 :: 0.85 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.72 Ave N Shift Values>> N :: 121.6(4.72) D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.21 K 0.15 C 0.11 F 0.09 N 0.08 R 0.04 C Shift Assignments>> CA :: 54.52 CB :: 41.30 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.37 HA :: 4.58 HB2 :: 2.64 HB3 :: 2.64 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.68 Ave N Shift Values>> N :: 120.73(4.2) N7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.23 C 0.16 F 0.07 L 0.05 E 0.01 C Shift Assignments>> CA :: 53.30 CB :: 39.02 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.34 HA :: 4.67 HB2 :: 2.80 HB3 :: 2.73 HD21 :: 6.88 HD22 :: 7.55 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.10 ND2 :: 112.68 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.72 C 0.21 A 0.04 G 0.01 HN Overlap>> E93 C Shift Assignments>> CA :: 53.20 CB :: 41.79 CG :: 26.29 CD1 :: 23.47 CD2 :: 23.47 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.12 HA :: 4.58 HB2 :: 1.61 HB3 :: 1.48 HG :: 0.86 HD1 :: 0.86 HD2 :: 0.86 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.20 Ave N Shift Values>> N :: 121.98(4.07) P9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.79 C 0.2 C Shift Assignments>> CA :: 63.01 CB :: 32.11 CG :: 27.30 CD :: 50.46 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.42 HB2 :: 2.22 HB3 :: 1.84 HG2 :: 2.22 HG3 :: 2.02 HD2 :: 3.77 HD3 :: 3.59 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) N Shift Assignments>> N :: 136.48 Ave N Shift Values>> N :: 127.4(10.05) A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.19 C 0.02 C Shift Assignments>> CA :: 52.41 CB :: 19.40 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.19 HA :: 4.25 HB :: 1.11 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.67 Ave N Shift Values>> N :: 123.23(3.7) G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.1 C 0.08 R 0.04 C Shift Assignments>> CA :: 45.18 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.96 HA2 :: 4.03 HA3 :: 4.03 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.88 Ave N Shift Values>> N :: 109.91(4.29) H12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.35 W 0.33 C 0.31 C Shift Assignments>> CA :: 56.68 CB :: 30.81 CD2 :: 119.68 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.82 HA :: 5.30 HB2 :: 2.98 HB3 :: 2.80 HD2 :: 7.02 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.82 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.4 C Shift Assignments>> CA :: 59.31 CB :: 39.83 CG1 :: 27.61 CG2 :: 16.23 CD1 :: 12.78 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.07 HA :: 4.71 HB :: 1.79 HG2 :: 0.58 HG12 :: 1.33 HG13 :: 1.14 HD1 :: 0.24 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.15 Ave N Shift Values>> N :: 121.6(4.72) L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 L 0.33 C 0.18 R 0.02 C Shift Assignments>> CA :: 53.43 CB :: 44.98 CG :: 27.72 CD1 :: 24.85 CD2 :: 24.85 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.36 HA :: 5.23 HB2 :: 1.80 HB3 :: 1.30 HG :: 1.55 HD1 :: 0.89 HD2 :: 0.83 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.66 Ave N Shift Values>> N :: 121.98(4.07) L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.25 C 0.15 R 0.01 C Shift Assignments>> CA :: 53.49 CB :: 45.31 CG :: 26.67 CD1 :: 26.67 CD2 :: 24.32 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.32 HA :: 5.30 HB2 :: 1.85 HB3 :: 0.95 HG :: 0.95 HD1 :: 0.38 HD2 :: 0.78 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 129.19 Ave N Shift Values>> N :: 121.98(4.07) L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.27 C 0.25 G 0.14 K 0.01 C Shift Assignments>> CA :: 53.62 CB :: 43.52 CG :: 28.26 CD1 :: 26.70 CD2 :: 25.66 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.15 HA :: 5.42 HB2 :: 1.84 HB3 :: 1.47 HG :: 1.58 HD1 :: 0.85 HD2 :: 0.81 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 129.96 Ave N Shift Values>> N :: 121.98(4.07) E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 E 0.14 M 0.13 C Shift Assignments>> CA :: 55.31 CB :: 33.30 CG :: 37.61 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.97 HA :: 4.60 HB2 :: 2.23 HB3 :: 1.50 HG2 :: 1.91 HG3 :: 1.91 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.51 Ave N Shift Values>> N :: 120.68(3.68) E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 M 0.25 E 0.17 Q 0.01 C Shift Assignments>> CA :: 55.23 CB :: 33.31 CG :: 36.26 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> HA :: 4.57 HB2 :: 2.07 HB3 :: 2.07 HG2 :: 2.37 HG3 :: 2.37 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.62 Ave N Shift Values>> N :: 120.68(3.68) E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 I 0.09 M 0.07 K 0.06 Q 0.02 C Shift Assignments>> CA :: 57.75 CB :: 30.18 CG :: 36.54 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> HA :: 4.07 HB2 :: 2.05 HB3 :: 1.74 HG2 :: 2.47 HG3 :: 2.20 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.24 Ave N Shift Values>> N :: 120.68(3.68) D20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.21 K 0.14 C 0.11 N 0.09 F 0.09 R 0.04 C Shift Assignments>> CA :: 54.39 CB :: 41.22 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> HA :: 4.61 HB2 :: 2.68 HB3 :: 2.61 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.36 Ave N Shift Values>> N :: 120.73(4.2) E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 K 0.2 Q 0.19 E 0.11 I 0.05 R 0.04 M 0.02 P 0.02 C Shift Assignments>> CA :: 60.35 CB :: 29.08 CG :: 33.82 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.10 HA :: 3.98 HB2 :: 2.10 HB3 :: 2.10 HG2 :: 2.31 HG3 :: 2.31 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.95 Ave N Shift Values>> N :: 120.68(3.68) A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.42 C 0.02 I 0.01 HN Overlap>> Q80 C Shift Assignments>> CA :: 54.34 CB :: 18.61 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.43 HA :: 4.13 HB :: 1.35 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.79 Ave N Shift Values>> N :: 123.23(3.7) A23 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.61 A 0.31 I 0.04 C 0.02 C Shift Assignments>> CA :: 54.99 CB :: 17.22 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.88 HA :: 3.39 HB :: 0.01(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.24 Ave N Shift Values>> N :: 123.23(3.7) T24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 67.07 CB :: 68.74 CG2 :: 21.27 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.07 HA :: 3.64 HB :: 4.22 HG2 :: 1.22 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.19 Ave N Shift Values>> N :: 115.7(5.05) V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> CA :: 66.26 CB :: 31.89 CG1 :: 22.40 CG2 :: 20.75 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.29 HA :: 3.75 HB :: 2.14 HG1 :: 1.10 HG2 :: 0.91 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.96 Ave N Shift Values>> N :: 121.02(4.96) V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> CA :: 67.10 CB :: 31.48 CG1 :: 22.96 CG2 :: 22.96 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.58 HA :: 3.29 HB :: 1.99 HG1 :: 0.85 HG2 :: 0.73 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.81 Ave N Shift Values>> N :: 121.02(4.96) C27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.52 I 0.41 C 0.04 HN Overlap>> S136 C Shift Assignments>> CA :: 64.95 CB :: 26.70 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.60 HA :: 3.83 HB2 :: 2.94 HB3 :: 2.94 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 116.81 Ave N Shift Values>> N :: 119.95(4.79) E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 I 0.3 E 0.29 K 0.04 M 0.01 Q 0.01 C Shift Assignments>> CA :: 60.11 CB :: 29.49 CG :: 36.66 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.61 HA :: 4.03 HB2 :: 2.10 HB3 :: 1.79 HG2 :: 1.97 HG3 :: 1.80 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.80 Ave N Shift Values>> N :: 120.68(3.68) M29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 M 0.48 A 0.01 HN Overlap>> E78 C Shift Assignments>> CA :: 58.17 CB :: 32.00 CG :: 31.90 CE :: 17.23 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.06 HA :: 4.34 HB2 :: 2.22 HB3 :: 2.04 HG2 :: 2.71 HG3 :: 2.57 HE :: 2.04 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.15 Ave N Shift Values>> N :: 120.1(3.88) L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 L 0.4 A 0.01 HN Overlap>> S136 C Shift Assignments>> CA :: 57.77 CB :: 40.40 CG :: 26.28 CD1 :: 22.50 CD2 :: 22.50 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.43 HA :: 4.27 HB2 :: 1.94 HB3 :: 1.20 HG :: 0.55 HD1 :: 0.55 HD2 :: 0.55 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.82 Ave N Shift Values>> N :: 121.98(4.07) T31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> CA :: 66.37 CB :: 68.68 CG2 :: 21.19 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.19 HA :: 4.73 HB :: 4.33 HG2 :: 1.41 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.30 Ave N Shift Values>> N :: 115.7(5.05) A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.37 I 0.03 C 0.02 C Shift Assignments>> CA :: 54.96 CB :: 17.80 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.68 HA :: 4.22 HB :: 1.58 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.36 Ave N Shift Values>> N :: 123.23(3.7) A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.16 C 0.02 C Shift Assignments>> CA :: 52.05 CB :: 19.51 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.30 HA :: 4.44 HB :: 1.67 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.89 Ave N Shift Values>> N :: 123.23(3.7) G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.1 C 0.08 R 0.04 C Shift Assignments>> CA :: 45.21 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.69 HA2 :: 4.18 HA3 :: 3.65 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.65 Ave N Shift Values>> N :: 109.91(4.29) F35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.6 C 0.39 C Shift Assignments>> CA :: 57.97 CB :: 40.25 CD1 :: 131.91 CD2 :: 131.91 CE1 :: 130.67 CE2 :: 130.67 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.96 HA :: 4.67 HB2 :: 2.88 HB3 :: 2.50 HD1 :: 7.30 HD2 :: 7.30 HE1 :: 7.18 HE2 :: 7.18 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.48 Ave N Shift Values>> N :: 120.69(4.18) K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.34 R 0.18 M 0.02 G 0.01 C Shift Assignments>> CA :: 55.23 CB :: 33.22 CG :: 25.00 CD :: 29.05 CE :: 42.27 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.59 HA :: 4.68 HB2 :: 1.72 HB3 :: 1.56 HG2 :: 1.34 HG3 :: 1.34 HD2 :: 1.60 HD3 :: 1.60 HE2 :: 2.92 HE3 :: 2.92 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.97 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 C Shift Assignments>> CA :: 60.97 CB :: 33.31 CG1 :: 22.73 CG2 :: 22.73 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.77 HA :: 4.86 HB :: 2.00 HG1 :: 0.84 HG2 :: 0.84 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.36 Ave N Shift Values>> N :: 121.02(4.96) I38 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 :: 59.88 CB :: 38.71 CG1 :: 27.93 CG2 :: 17.57 CD1 :: 13.07 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.12 HA :: 4.42 HB :: 1.90 HG2 :: 0.80 HG12 :: 1.36 HG13 :: 1.36 HD1 :: 0.80 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 130.33 Ave N Shift Values>> N :: 121.6(4.72) W39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.61 C 0.37 H 0.01 C Shift Assignments>> CA :: 54.21 CB :: 30.01 CD1 :: 125.19 CE3 :: 120.51 CZ2 :: 114.30 CZ3 :: 121.50 CH2 :: 124.47 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.85 HA :: 5.73 HB2 :: 3.39 HB3 :: 2.74 HD1 :: 7.30 HE3 :: 7.54 HZ2 :: 7.13 HZ3 :: 7.06 HH2 :: 7.22 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 129.83 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 L 0.33 C 0.15 A 0.06 R 0.02 C Shift Assignments>> CA :: 53.21 CB :: 44.80 CG :: 27.00 CD1 :: 25.75 CD2 :: 22.76 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.37 HA :: 4.61 HB2 :: 1.63 HB3 :: 1.63 HG :: 1.64 HD1 :: 0.83 HD2 :: 0.73 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 130.16 Ave N Shift Values>> N :: 121.98(4.07) V41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.45 C Shift Assignments>> CA :: 60.84 CB :: 32.43 CG1 :: 20.90 CG2 :: 18.99 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.01 HA :: 4.43 HB :: 2.26 HG1 :: 0.76 HG2 :: 0.76 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 111.72 Ave N Shift Values>> N :: 121.02(4.96) D42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.35 L 0.25 R 0.13 C 0.12 D 0.09 F 0.01 K 0.01 N 0.01 C Shift Assignments>> CA :: 52.53 CB :: 44.00 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.19 HA :: 4.69 HB2 :: 2.76 HB3 :: 2.62 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.05 Ave N Shift Values>> N :: 120.73(4.2) G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 C 0.17 L 0.04 C Shift Assignments>> CA :: 46.98 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 10.14 HA2 :: 3.82 HA3 :: 3.69 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.28 Ave N Shift Values>> N :: 109.91(4.29) S44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 62.56 CB :: 62.56 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.90 HA :: 4.09 HB2 :: 3.92 HB3 :: 3.92 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.35 Ave N Shift Values>> N :: 116.3(3.95) T45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> CA :: 64.75 CB :: 68.58 CG2 :: 22.08 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.40 HA :: 4.25 HB :: 4.25 HG2 :: 1.23 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.25 Ave N Shift Values>> N :: 115.7(5.05) A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.3 C 0.06 V 0.03 L 0.02 I 0.02 T 0.01 C Shift Assignments>> CA :: 55.64 CB :: 19.63 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.35 HA :: 3.69 HB :: 1.42 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.19 Ave N Shift Values>> N :: 123.23(3.7) L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.38 R 0.04 HN Overlap>> L76 C Shift Assignments>> CA :: 58.14 CB :: 41.61 CG :: 27.45 CD1 :: 24.41 CD2 :: 24.41 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.20 HA :: 3.79 HB2 :: 1.62 HB3 :: 1.62 HG :: 1.50 HD1 :: 0.64 HD2 :: 0.64 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.02 Ave N Shift Values>> N :: 121.98(4.07) D48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 K 0.2 L 0.17 C 0.16 D 0.13 R 0.04 I 0.03 N 0.02 HN Overlap>> L118 C Shift Assignments>> CA :: 56.94 CB :: 41.02 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.76 HA :: 4.39 HB2 :: 2.80 HB3 :: 2.69 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.54 Ave N Shift Values>> N :: 120.73(4.2) Q49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.25 K 0.24 E 0.12 R 0.05 M 0.05 C Shift Assignments>> CA :: 56.59 CB :: 29.09 CG :: 33.85 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.71 HA :: 4.36 HB2 :: 2.32 HB3 :: 1.80 HG2 :: 2.39 HG3 :: 2.39 HE21 :: 6.41 HE22 :: 7.10 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 115.10 NE2 :: 109.50 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.37 R 0.03 G 0.01 C Shift Assignments>> CA :: 59.44 CB :: 42.05 CG :: 26.45 CD1 :: 24.76 CD2 :: 24.76 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.72 HA :: 3.74 HB2 :: 1.75 HB3 :: 1.75 HG :: 1.76 HD1 :: 0.80 HD2 :: 0.77 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.28 Ave N Shift Values>> N :: 121.98(4.07) D51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 C 0.17 D 0.17 L 0.16 K 0.14 N 0.03 I 0.03 R 0.02 C Shift Assignments>> CA :: 56.66 CB :: 40.63 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.18 HA :: 4.45 HB2 :: 2.64 HB3 :: 2.64 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.55 Ave N Shift Values>> N :: 120.73(4.2) L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.32 R 0.06 G 0.04 C Shift Assignments>> CA :: 56.76 CB :: 42.83 CG :: 27.13 CD1 :: 24.20 CD2 :: 24.20 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.57 HA :: 4.26 HB2 :: 1.72 HB3 :: 1.60 HG :: 1.61 HD1 :: 0.91 HD2 :: 0.87 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.96 Ave N Shift Values>> N :: 121.98(4.07) L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 G 0.3 L 0.29 A 0.06 C Shift Assignments>> CA :: 55.95 CB :: 44.18 CG :: 26.07 CD1 :: 22.05 CD2 :: 22.05 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.25 HA :: 4.12 HB2 :: 1.67 HB3 :: 1.11 HG :: 0.75 HD1 :: 0.58 HD2 :: 0.58 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.84 Ave N Shift Values>> N :: 121.98(4.07) Q54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 C 0.26 K 0.24 R 0.08 E 0.08 M 0.02 C Shift Assignments>> CA :: 55.85 CB :: 27.91 CG :: 33.89 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.14 HA :: 4.15 HB2 :: 2.11 HB3 :: 2.11 HG2 :: 2.35 HG3 :: 2.29 HE21 :: 6.81 HE22 :: 7.65 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 112.67 NE2 :: 112.46 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) P55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.77 C 0.22 C Shift Assignments>> CA :: 62.77 CB :: 32.45 CG :: 27.57 CD :: 50.46 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.53 HB2 :: 1.94 HB3 :: 1.77 HG2 :: 1.86 HG3 :: 1.70 HD2 :: 3.88 HD3 :: 3.60 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) N Shift Assignments>> N :: 132.05 Ave N Shift Values>> N :: 127.4(10.05) I56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 C 0.21 C Shift Assignments>> CA :: 62.34 CB :: 39.26 CG1 :: 27.08 CG2 :: 18.74 CD1 :: 14.26 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.75 HA :: 4.43 HB :: 1.98 HG2 :: 1.18 HG12 :: 1.58 HG13 :: 1.30 HD1 :: 1.03 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 115.11 Ave N Shift Values>> N :: 121.6(4.72) V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 V 0.11 L 0.01 C Shift Assignments>> CA :: 60.05 CB :: 37.49 CG1 :: 22.51 CG2 :: 22.51 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.14 HA :: 4.88 HB :: 1.72 HG1 :: 0.77 HG2 :: 0.77 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.96 Ave N Shift Values>> N :: 121.02(4.96) I58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> CA :: 59.98 CB :: 40.53 CG1 :: 28.03 CG2 :: 16.47 CD1 :: 14.74 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.37 HA :: 4.80 HB :: 1.74 HG2 :: 0.78 HG12 :: 1.50 HG13 :: 1.05 HD1 :: 0.81 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 126.95 Ave N Shift Values>> N :: 121.6(4.72) L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 C 0.3 G 0.2 R 0.17 C Shift Assignments>> CA :: 52.79 CB :: 43.31 CG :: 27.11 CD1 :: 27.11 CD2 :: 27.11 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.36 HA :: 4.99 HB2 :: 1.93 HB3 :: 1.21 HG :: 1.51 HD1 :: 0.73 HD2 :: 0.69 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.47 Ave N Shift Values>> N :: 121.98(4.07) M60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 A 0.34 M 0.25 I 0.01 C Shift Assignments>> CA :: 53.73 CB :: 36.76 CG :: 31.24 CE :: 16.68 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 9.01 HA :: 5.27 HB2 :: 2.27 HB3 :: 1.88 HG2 :: 3.56 HG3 :: 2.76 HE :: 2.18 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 124.39 Ave N Shift Values>> N :: 120.1(3.88) A61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.25 C 0.03 L 0.02 C Shift Assignments>> CA :: 53.19 CB :: 19.88 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.57 HA :: 4.99 HB :: 1.58 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.72 Ave N Shift Values>> N :: 123.23(3.7) W62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.52 C 0.45 H 0.02 C Shift Assignments>> CA :: 55.17 CB :: 32.00 CD1 :: 126.08 CE3 :: 121.22 CZ2 :: 113.82 CZ3 :: 120.97 CH2 :: 124.83 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.31 HA :: 4.39 HB2 :: 3.62 HB3 :: 2.66 HD1 :: 6.74 HE3 :: 7.37 HZ2 :: 7.44 HZ3 :: 6.88 HH2 :: 7.01 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 118.92 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) P63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 P 0.41 C Shift Assignments>> CA :: 60.89 CB :: 32.50 CG :: 25.70 CD :: 50.00 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.85 HB2 :: 2.01 HB3 :: 1.77 HG2 :: 1.78 HG3 :: 1.66 HD2 :: 3.51 HD3 :: 3.47 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) N Shift Assignments>> N :: 142.63 Ave N Shift Values>> N :: 127.4(10.05) P64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.7 C 0.29 C Shift Assignments>> CA :: 61.95 CB :: 31.73 CG :: 26.66 CD :: 50.05 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.91 HB2 :: 2.26 HB3 :: 2.10 HG2 :: 1.51 HG3 :: 1.50 HD2 :: 3.64 HD3 :: 3.64 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) N Shift Assignments>> N :: 134.05 Ave N Shift Values>> N :: 127.4(10.05) P65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.89 C 0.1 C Shift Assignments>> CA :: 64.58 CB :: 32.40 CG :: 27.54 CD :: 50.36 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.25 HB2 :: 2.34 HB3 :: 2.04 HG2 :: 1.83 HG3 :: 1.83 HD2 :: 3.76 HD3 :: 4.10 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) N Shift Assignments>> N :: 131.49 Ave N Shift Values>> N :: 127.4(10.05) D66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.19 D 0.14 C 0.12 G 0.11 K 0.04 F 0.02 N 0.01 C Shift Assignments>> CA :: 53.28 CB :: 43.41 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.12 HA :: 4.76 HB2 :: 3.03 HB3 :: 3.03 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 109.80 Ave N Shift Values>> N :: 120.73(4.2) Q67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.24 K 0.24 E 0.11 R 0.07 M 0.02 I 0.02 C Shift Assignments>> CA :: 58.09 CB :: 28.40 CG :: 33.85 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.92 HA :: 4.18 HB2 :: 2.20 HB3 :: 2.20 HG2 :: 2.50 HG3 :: 2.50 HE21 :: 6.80 HE22 :: 7.55 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.75 NE2 :: 111.92 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) S68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 62.90 CB :: 61.95 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.65 HA :: 4.27 HB2 :: 4.03 HB3 :: 3.86 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.44 Ave N Shift Values>> N :: 116.3(3.95) C69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 P 0.34 V 0.06 C 0.06 W 0.01 C Shift Assignments>> CA :: 65.30 CB :: 28.38 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.89 HA :: 4.17 HB2 :: 3.27 HB3 :: 3.34 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 121.25 Ave N Shift Values>> N :: 119.95(4.79) L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 L 0.35 R 0.03 C Shift Assignments>> CA :: 58.19 CB :: 40.29 CG :: 28.63 CD1 :: 25.25 CD2 :: 23.81 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.79 HA :: 4.33 HB2 :: 2.18 HB3 :: 1.80 HG :: 1.92 HD1 :: 1.18 HD2 :: 1.18 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.99 Ave N Shift Values>> N :: 121.98(4.07) L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.4 R 0.02 C Shift Assignments>> CA :: 57.59 CB :: 40.88 CG :: 27.43 CD1 :: 24.67 CD2 :: 23.09 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.25 HA :: 4.28 HB2 :: 2.01 HB3 :: 1.71 HG :: 1.73 HD1 :: 0.95 HD2 :: 0.95 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.43 Ave N Shift Values>> N :: 121.98(4.07) L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 L 0.41 R 0.1 K 0.03 C Shift Assignments>> CA :: 58.59 CB :: 41.02 CG :: 27.76 CD1 :: 26.43 CD2 :: 24.55 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.67 HA :: 4.14 HB2 :: 2.21 HB3 :: 1.59 HG :: 1.59 HD1 :: 0.86 HD2 :: 0.86 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.73 Ave N Shift Values>> N :: 121.98(4.07) L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 L 0.2 V 0.03 A 0.01 C Shift Assignments>> CA :: 58.66 CB :: 40.36 CG :: 26.97 CD1 :: 21.77 CD2 :: 21.77 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.79 HA :: 4.07 HB2 :: 2.13 HB3 :: 1.88 HG :: 1.35 HD1 :: 0.96 HD2 :: 0.96 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.18 Ave N Shift Values>> N :: 121.98(4.07) Q74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.24 Q 0.19 R 0.09 E 0.06 P 0.02 M 0.02 I 0.02 C Shift Assignments>> CA :: 59.79 CB :: 28.53 CG :: 33.28 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.04 HA :: 3.83 HB2 :: 2.29 HB3 :: 2.29 HG2 :: 2.36 HG3 :: 2.36 HE21 :: 6.74 HE22 :: 7.82 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.49 NE2 :: 111.64 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) H75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 H 0.28 W 0.25 HN Overlap>> M4 C Shift Assignments>> CA :: 60.37 CB :: 30.70 CD2 :: 118.07 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.32 HA :: 4.33 HB2 :: 3.49 HB3 :: 3.21 HD2 :: 6.45 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 120.45 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 L 0.39 A 0.01 HN Overlap>> L47 C Shift Assignments>> CA :: 57.98 CB :: 40.54 CG :: 26.51 CD1 :: 22.38 CD2 :: 22.38 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.17 HA :: 4.04 HB2 :: 1.79 HB3 :: 1.66 HG :: 2.06 HD1 :: 0.92 HD2 :: 0.83 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.94 Ave N Shift Values>> N :: 121.98(4.07) R77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.28 G 0.27 K 0.02 C Shift Assignments>> CA :: 60.08 CB :: 30.36 CG :: 29.00 CD :: 44.19 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.90 HA :: 4.14 HB2 :: 2.10 HB3 :: 1.79 HG2 :: 1.35 HG3 :: 1.35 HD2 :: 3.19 HD3 :: 3.19 HE :: 7.61 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.80 NE :: 82.38 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 I 0.13 K 0.07 M 0.03 Q 0.02 HN Overlap>> M29 C Shift Assignments>> CA :: 57.93 CB :: 29.61 CG :: 36.65 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.04 HA :: 4.07 HB2 :: 2.04 HB3 :: 1.89 HG2 :: 2.47 HG3 :: 2.21 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.16 Ave N Shift Values>> N :: 120.68(3.68) H79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.38 W 0.33 C 0.28 C Shift Assignments>> CA :: 56.25 CB :: 27.94 CD2 :: 120.23 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.66 HA :: 4.60 HB2 :: 3.67 HB3 :: 2.60 HD2 :: 6.83 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 117.42 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) Q80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.24 K 0.23 E 0.13 R 0.05 M 0.03 I 0.02 HN Overlap>> A22 C Shift Assignments>> CA :: 57.99 CB :: 28.93 CG :: 33.95 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.45 HA :: 4.22 HB2 :: 2.19 HB3 :: 2.19 HG2 :: 2.48 HG3 :: 2.48 HE21 :: 6.89 HE22 :: 7.50 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.76 NE2 :: 111.90 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.17 C 0.01 C Shift Assignments>> CA :: 51.88 CB :: 18.58 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.17 HA :: 4.44 HB :: 1.37 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.76 Ave N Shift Values>> N :: 123.23(3.7) D82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 D 0.3 C 0.14 L 0.08 F 0.08 K 0.01 C Shift Assignments>> CA :: 53.39 CB :: 39.69 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.50 HA :: 4.67 HB2 :: 2.76 HB3 :: 2.76 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.69 Ave N Shift Values>> N :: 120.73(4.2) P83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.87 C 0.12 C Shift Assignments>> CA :: 64.21 CB :: 32.26 CG :: 27.67 CD :: 50.22 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.20 HB2 :: 2.17 HB3 :: 1.57 HG2 :: 2.01 HG3 :: 2.01 HD2 :: 3.79 HD3 :: 3.63 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) N Shift Assignments>> N :: 133.37 Ave N Shift Values>> N :: 127.4(10.05) H84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.43 W 0.29 C 0.26 C Shift Assignments>> CA :: 54.06 CB :: 28.79 CD2 :: 121.01 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.64 HA :: 4.65 HB2 :: 3.22 HB3 :: 3.22 HD2 :: 7.20 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 115.59 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) P85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.68 C 0.31 C Shift Assignments>> CA :: 61.76 CB :: 31.25 CG :: 27.34 CD :: 50.05 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.81 HB2 :: 2.32 HB3 :: 1.93 HG2 :: 2.07 HG3 :: 2.07 HD2 :: 3.86 HD3 :: 3.51 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) N Shift Assignments>> N :: 140.36 Ave N Shift Values>> N :: 127.4(10.05) P86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.74 C 0.25 C Shift Assignments>> CA :: 62.32 CB :: 31.54 CG :: 27.60 CD :: 50.18 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.42 HB2 :: 2.12 HB3 :: 1.52 HG2 :: 2.02 HG3 :: 1.92 HD2 :: 3.97 HD3 :: 3.64 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) N Shift Assignments>> N :: 134.50 Ave N Shift Values>> N :: 127.4(10.05) L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.26 G 0.08 A 0.05 C Shift Assignments>> CA :: 54.49 CB :: 43.11 CG :: 26.85 CD1 :: 22.92 CD2 :: 22.92 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.70 HA :: 4.48 HB2 :: 1.73 HB3 :: 1.40 HG :: 1.92 HD1 :: 0.94 HD2 :: 0.94 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.49 Ave N Shift Values>> N :: 121.98(4.07) V88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.35 C Shift Assignments>> CA :: 61.44 CB :: 34.07 CG1 :: 22.14 CG2 :: 20.44 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.86 HA :: 4.77 HB :: 1.76 HG1 :: 0.73 HG2 :: 0.16 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.70 Ave N Shift Values>> N :: 121.02(4.96) L89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 R 0.29 G 0.29 L 0.08 C Shift Assignments>> CA :: 54.54 CB :: 44.47 CG :: 29.58 CD1 :: 26.69 CD2 :: 24.25 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.87 HA :: 5.05 HB2 :: 1.31 HB3 :: 1.38 HG :: 1.59 HD1 :: 0.59 HD2 :: 0.63 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 128.21 Ave N Shift Values>> N :: 121.98(4.07) F90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.59 C 0.4 C Shift Assignments>> CA :: 55.83 CB :: 41.22 CD1 :: 130.52 CD2 :: 130.52 CE1 :: 131.62 CE2 :: 131.62 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.58 HA :: 6.09 HB2 :: 3.10 HB3 :: 2.72 HD1 :: 7.15 HD2 :: 7.15 HE1 :: 7.26 HE2 :: 7.26 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.03 Ave N Shift Values>> N :: 120.69(4.18) L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 C 0.17 G 0.06 R 0.05 A 0.02 C Shift Assignments>> CA :: 52.08 CB :: 42.68 CG :: 27.12 CD1 :: 25.76 CD2 :: 23.91 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.61 HA :: 5.34 HB2 :: 1.88 HB3 :: 1.19 HG :: 1.50 HD1 :: 0.77 HD2 :: 0.77 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.27 Ave N Shift Values>> N :: 121.98(4.07) G92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.09 C 0.07 R 0.03 C Shift Assignments>> CA :: 45.29 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.54 HA2 :: 5.21 HA3 :: 3.55 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.48 Ave N Shift Values>> N :: 109.91(4.29) E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.29 M 0.17 K 0.06 Q 0.04 HN Overlap>> L8 C Shift Assignments>> CA :: 53.61 CB :: 30.57 CG :: 36.18 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.03 HA :: 4.55 HB2 :: 2.07 HB3 :: 1.87 HG2 :: 2.37 HG3 :: 2.37 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.23 Ave N Shift Values>> N :: 120.68(3.68) P94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 P 0.39 C Shift Assignments>> CA :: 60.40 CB :: 30.87 CG :: 27.60 CD :: 49.59 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.26 HB2 :: 2.07 HB3 :: 1.71 HG2 :: 1.91 HG3 :: 2.09 HD2 :: 3.85 HD3 :: 3.60 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) N Shift Assignments>> N :: 131.38 Ave N Shift Values>> N :: 127.4(10.05) P95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.63 C 0.36 C Shift Assignments>> CA :: 62.36 CB :: 31.71 CG :: 25.28 CD :: 49.94 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.95 HB2 :: 1.16 HB3 :: 1.10 HD2 :: 2.94 HD3 :: 2.80 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) N Shift Assignments>> N :: 135.89 Ave N Shift Values>> N :: 127.4(10.05) V96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.78 C 0.21 C Shift Assignments>> CA :: 62.86 CB :: 31.95 CG1 :: 21.02 CG2 :: 21.02 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.97 HA :: 3.94 HB :: 2.17 HG1 :: 1.00 HG2 :: 0.98 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.24 Ave N Shift Values>> N :: 121.02(4.96) D97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.23 C 0.14 N 0.09 R 0.08 K 0.06 G 0.05 F 0.03 C Shift Assignments>> CA :: 51.45 CB :: 42.37 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.32 HA :: 4.83 HB2 :: 2.67 HB3 :: 2.67 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.58 Ave N Shift Values>> N :: 120.73(4.2) P98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.78 C 0.21 C Shift Assignments>> CA :: 64.23 CB :: 32.32 CG :: 27.23 CD :: 51.47 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.43 HB2 :: 2.34 HB3 :: 1.95 HG2 :: 2.04 HG3 :: 2.04 HD2 :: 3.97 HD3 :: 4.12 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) N Shift Assignments>> N :: 140.87 Ave N Shift Values>> N :: 127.4(10.05) L99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.35 R 0.03 G 0.01 HN Overlap>> I107 C Shift Assignments>> CA :: 57.63 CB :: 42.02 CG :: 27.09 CD1 :: 24.05 CD2 :: 24.05 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.45 HA :: 4.04 HB2 :: 1.68 HB3 :: 1.38 HG :: 1.57 HD1 :: 0.92 HD2 :: 0.84 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.12 Ave N Shift Values>> N :: 121.98(4.07) L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 C 0.35 R 0.21 K 0.04 C Shift Assignments>> CA :: 56.77 CB :: 41.66 CG :: 28.40 CD1 :: 26.09 CD2 :: 24.56 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.25 HA :: 4.49 HB2 :: 1.56 HB3 :: 1.01 HG :: 1.63 HD1 :: 0.83 HD2 :: 0.83 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.47 Ave N Shift Values>> N :: 121.98(4.07) T101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> CA :: 67.10 CB :: 68.03 CG2 :: 22.97 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.82 HA :: 3.59 HB :: 4.02 HG2 :: 1.08 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.60 Ave N Shift Values>> N :: 115.7(5.05) A102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.36 C 0.02 C Shift Assignments>> CA :: 53.86 CB :: 18.58 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.52 HA :: 4.18 HB :: 1.46 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.04 Ave N Shift Values>> N :: 123.23(3.7) Q103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 E 0.24 Q 0.19 K 0.15 M 0.11 I 0.01 R 0.01 C Shift Assignments>> CA :: 56.93 CB :: 30.07 CG :: 34.87 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.35 HA :: 4.23 HB2 :: 2.34 HB3 :: 2.11 HG2 :: 2.47 HG3 :: 2.47 HE21 :: 6.69 HE22 :: 7.84 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.08 NE2 :: 108.00 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.13 C 0.03 L 0.01 C Shift Assignments>> CA :: 51.49 CB :: 19.88 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.29 HA :: 4.23 HB :: 1.28 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.22 Ave N Shift Values>> N :: 123.23(3.7) S105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> CA :: 61.28 CB :: 64.19 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.57 HA :: 4.47 HB2 :: 3.94 HB3 :: 3.51 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.56 Ave N Shift Values>> N :: 116.3(3.95) A106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.46 L 0.23 M 0.16 C 0.1 K 0.01 C Shift Assignments>> CA :: 52.10 CB :: 21.87 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.43 HA :: 4.43 HB :: 1.27 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.65 Ave N Shift Values>> N :: 123.23(3.7) I107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 HN Overlap>> L99 C Shift Assignments>> CA :: 61.21 CB :: 40.10 CG1 :: 28.69 CG2 :: 17.30 CD1 :: 14.52 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.41 HA :: 4.85 HB :: 1.77 HG2 :: 0.67 HG12 :: 1.13 HG13 :: 1.68 HD1 :: 0.93 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.02 Ave N Shift Values>> N :: 121.6(4.72) L108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.22 R 0.21 G 0.09 A 0.01 C Shift Assignments>> CA :: 53.35 CB :: 43.27 CG :: 28.23 CD1 :: 26.05 CD2 :: 24.16 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.02 HA :: 4.83 HB2 :: 1.63 HB3 :: 1.63 HG :: 1.57 HD1 :: 0.77 HD2 :: 0.84 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 129.50 Ave N Shift Values>> N :: 121.98(4.07) S109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.28 CB :: 64.48 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.38 HA :: 4.61 HB2 :: 3.90 HB3 :: 3.90 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.06 Ave N Shift Values>> N :: 116.3(3.95) K110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 R 0.22 G 0.14 K 0.08 C Shift Assignments>> CA :: 53.86 CB :: 34.11 CG :: 27.10 CD :: 26.71 CE :: 43.29 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.23 HA :: 4.41 HB2 :: 1.82 HB3 :: 1.64 HG2 :: 1.29 HG3 :: 1.25 HD2 :: 1.86 HD3 :: 1.68 HE2 :: 3.22 HE3 :: 3.22 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.81 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) P111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 P 0.4 C Shift Assignments>> CA :: 62.01 CB :: 34.01 CG :: 25.37 CD :: 50.66 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.40 HB2 :: 2.39 HB3 :: 2.02 HG2 :: 1.96 HG3 :: 1.96 HD2 :: 3.55 HD3 :: 3.55 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) N Shift Assignments>> N :: 136.90 Ave N Shift Values>> N :: 127.4(10.05) L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.26 G 0.07 R 0.06 C Shift Assignments>> CA :: 55.41 CB :: 43.12 CG :: 26.37 CD1 :: 25.32 CD2 :: 25.32 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.21 HA :: 4.31 HB2 :: 1.53 HB3 :: 1.25 HG :: 0.84 HD1 :: 0.81 HD2 :: 0.81 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.58 Ave N Shift Values>> N :: 121.98(4.07) D113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.19 C 0.17 L 0.15 K 0.04 F 0.03 R 0.03 G 0.02 C Shift Assignments>> CA :: 50.39 CB :: 41.70 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.64 HA :: 5.08 HB2 :: 2.90 HB3 :: 2.72 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.96 Ave N Shift Values>> N :: 120.73(4.2) P114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.78 C 0.21 C Shift Assignments>> CA :: 65.26 CB :: 32.37 CG :: 27.56 CD :: 51.17 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.95 HB2 :: 2.16 HB3 :: 2.16 HG2 :: 1.97 HG3 :: 1.97 HD2 :: 4.16 HD3 :: 4.01 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) N Shift Assignments>> N :: 138.14 Ave N Shift Values>> N :: 127.4(10.05) Q115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.23 K 0.22 E 0.11 R 0.06 I 0.03 M 0.01 C Shift Assignments>> CA :: 58.66 CB :: 28.07 CG :: 34.10 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.75 HA :: 4.08 HB2 :: 2.15 HB3 :: 2.15 HG2 :: 2.43 HG3 :: 2.43 HE21 :: 6.86 HE22 :: 7.54 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.11 NE2 :: 112.45 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.34 R 0.09 A 0.01 C Shift Assignments>> CA :: 56.91 CB :: 41.55 CG :: 27.28 CD1 :: 25.69 CD2 :: 22.81 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.55 HA :: 4.24 HB2 :: 1.93 HB3 :: 1.56 HG :: 1.45 HD1 :: 1.02 HD2 :: 1.02 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.45 Ave N Shift Values>> N :: 121.98(4.07) L117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.47 V 0.01 C Shift Assignments>> CA :: 58.89 CB :: 40.92 CG :: 27.28 CD1 :: 23.32 CD2 :: 23.32 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.09 HA :: 3.85 HB2 :: 2.01 HB3 :: 1.41 HG :: 1.59 HD1 :: 0.82 HD2 :: 0.77 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.71 Ave N Shift Values>> N :: 121.98(4.07) L118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.38 R 0.05 HN Overlap>> D48 C Shift Assignments>> CA :: 58.75 CB :: 41.52 CG :: 27.21 CD1 :: 25.00 CD2 :: 24.06 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.83 HA :: 3.89 HB2 :: 1.85 HB3 :: 1.65 HG :: 1.65 HD1 :: 0.94 HD2 :: 0.94 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.57 Ave N Shift Values>> N :: 121.98(4.07) T119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> CA :: 66.35 CB :: 68.88 CG2 :: 21.80 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.60 HA :: 4.03 HB :: 4.22 HG2 :: 1.32 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.63 Ave N Shift Values>> N :: 115.7(5.05) T120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> CA :: 67.13 CB :: 68.36 CG2 :: 20.50 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.30 HA :: 3.91 HB :: 4.27 HG2 :: 1.04 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.85 Ave N Shift Values>> N :: 115.7(5.05) L121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.37 R 0.09 K 0.01 HN Overlap>> R134 C Shift Assignments>> CA :: 58.23 CB :: 41.39 CG :: 27.33 CD1 :: 26.05 CD2 :: 24.30 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.11 HA :: 3.88 HB2 :: 1.75 HB3 :: 1.37 HG :: 1.59 HD1 :: 0.51 HD2 :: 0.53 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.84 Ave N Shift Values>> N :: 121.98(4.07) Q122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.19 Q 0.19 E 0.17 I 0.07 R 0.03 M 0.01 C Shift Assignments>> CA :: 58.98 CB :: 28.29 CG :: 34.62 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.58 HA :: 4.13 HB2 :: 2.25 HB3 :: 2.05 HG2 :: 2.66 HG3 :: 2.46 HE21 :: 6.83 HE22 :: 7.49 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.36 NE2 :: 110.44 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) G123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 R 0.01 C Shift Assignments>> CA :: 45.97 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.68 HA2 :: 4.07 HA3 :: 3.89 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.13 Ave N Shift Values>> N :: 109.91(4.29) L124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 C 0.3 G 0.22 A 0.04 C Shift Assignments>> CA :: 55.72 CB :: 43.98 CG :: 26.63 CD1 :: 22.47 CD2 :: 22.47 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.42 HA :: 4.40 HB2 :: 1.80 HB3 :: 1.59 HG :: 1.93 HD1 :: 0.90 HD2 :: 0.76 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.28 Ave N Shift Values>> N :: 121.98(4.07) C125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 Q 0.13 K 0.13 C 0.11 L 0.1 H 0.1 W 0.09 E 0.07 I 0.04 M 0.01 C Shift Assignments>> CA :: 57.08 CB :: 27.74 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.87 HA :: 4.71 HB2 :: 2.93 HB3 :: 2.87 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 117.44 Ave N Shift Values>> N :: 119.95(4.79) P126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.66 C 0.33 C Shift Assignments>> CA :: 61.65 CB :: 30.87 CG :: 27.39 CD :: 50.48 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.78 HB2 :: 2.40 HB3 :: 1.98 HG2 :: 2.07 HG3 :: 1.79 HD2 :: 3.63 HD3 :: 3.63 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) N Shift Assignments>> N :: 139.01 Ave N Shift Values>> N :: 127.4(10.05) P127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.8 C 0.19 C Shift Assignments>> CA :: 63.02 CB :: 32.03 CG :: 27.28 CD :: 50.51 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.42 HB2 :: 2.22 HB3 :: 1.86 HG2 :: 2.01 HG3 :: 2.01 HD2 :: 3.84 HD3 :: 3.70 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) N Shift Assignments>> N :: 135.27 Ave N Shift Values>> N :: 127.4(10.05) N128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.19 C 0.17 F 0.07 L 0.03 E 0.01 C Shift Assignments>> CA :: 53.15 CB :: 38.69 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.48 HA :: 4.68 HB2 :: 2.83 HB3 :: 2.75 HD21 :: 6.86 HD22 :: 7.60 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.46 ND2 :: 112.69 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.28 R 0.08 G 0.02 A 0.01 C Shift Assignments>> CA :: 55.27 CB :: 42.37 CG :: 27.08 CD1 :: 25.08 CD2 :: 23.40 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.28 HA :: 4.40 HB2 :: 1.63 HB3 :: 1.63 HG :: 1.09 HD1 :: 0.93 HD2 :: 0.87 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.24 Ave N Shift Values>> N :: 121.98(4.07) S130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.41 CB :: 63.93 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.38 HA :: 4.46 HB2 :: 4.06 HB3 :: 3.88 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.62 Ave N Shift Values>> N :: 116.3(3.95) E131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.09 K 0.07 I 0.06 Q 0.04 C Shift Assignments>> CA :: 57.08 CB :: 30.32 CG :: 36.34 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.45 HA :: 4.29 HB2 :: 2.09 HB3 :: 1.97 HG2 :: 2.28 HG3 :: 2.28 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.92 Ave N Shift Values>> N :: 120.68(3.68) G132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.09 C 0.07 R 0.03 C Shift Assignments>> CA :: 45.29 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.36 HA2 :: 3.96 HA3 :: 3.96 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.28 Ave N Shift Values>> N :: 109.91(4.29) D133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.22 K 0.14 C 0.11 N 0.08 F 0.08 R 0.04 C Shift Assignments>> CA :: 54.34 CB :: 41.34 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.20 HA :: 4.62 HB2 :: 2.68 HB3 :: 2.60 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.26 Ave N Shift Values>> N :: 120.73(4.2) R134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.31 G 0.11 K 0.06 L 0.02 HN Overlap>> L121 C Shift Assignments>> CA :: 54.03 CB :: 30.32 CG :: 26.69 CD :: 43.43 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.19 HA :: 4.65 HB2 :: 1.86 HB3 :: 1.76 HG2 :: 1.68 HG3 :: 1.68 HD2 :: 3.22 HD3 :: 3.22 HE :: 7.22 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.91 NE :: 84.59 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) P135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.81 C 0.18 C Shift Assignments>> CA :: 63.21 CB :: 32.23 CG :: 27.37 CD :: 50.71 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.51 HB2 :: 2.34 HB3 :: 2.00 HG2 :: 2.00 HG3 :: 2.00 HD2 :: 3.81 HD3 :: 3.65 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) N Shift Assignments>> N :: 137.93 Ave N Shift Values>> N :: 127.4(10.05) S136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> C27 L30 C Shift Assignments>> CA :: 58.45 CB :: 64.03 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.53 HA :: 4.47 HB2 :: 3.94 HB3 :: 3.90 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.83 Ave N Shift Values>> N :: 116.3(3.95) S137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> CA :: 60.02 CB :: 64.88 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.98 HA :: 4.28 HB2 :: 3.87 HB3 :: 3.87 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 122.92 Ave N Shift Values>> N :: 116.3(3.95) ########################################################################### Overall Results: #Consistent: 136 #Clerical: 0 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 135 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 137 #Suspicious: 0 C Shift Results: #Consistent: 476 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 782 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 147 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: A23 HB = 0.01(S), Expected = 1.38, Std = 0.2500, ChiSquare = 4.2533e-08