M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.2 C 0.02 C Shift Assignments>> CA :: 52.44500 CB :: 18.94100 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.216382 HA :: 4.231000 HB :: 1.362000 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.4864 Ave N Shift Values>> N :: 123.23(3.7) M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.39 C 0.32 Q 0.16 K 0.06 E 0.03 R 0.01 C Shift Assignments>> CA :: 55.34600 CB :: 32.76300 CG :: 31.78200 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 :: 8.360238 HA :: 4.429000 HB2 :: 2.023000 HG2 :: 2.553000 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 :: 120.9830 Ave N Shift Values>> N :: 120.1(3.88) Q4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 K 0.25 C 0.24 E 0.09 M 0.07 R 0.06 C Shift Assignments>> CA :: 55.64200 CB :: 29.14100 CG :: 33.64500 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 :: 8.404408 HA :: 4.326000 HB2 :: 1.987000 HG2 :: 2.347000 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 :: 123.5499 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) M5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.22 C 0.19 K 0.19 Q 0.16 R 0.07 H 0.07 E 0.04 V 0.01 HN Overlap>> E18 C Shift Assignments>> CA :: 55.45900 CB :: 33.03700 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 :: 8.431494 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 :: 123.9954 Ave N Shift Values>> N :: 120.1(3.88) Q6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 K 0.26 C 0.24 R 0.08 E 0.07 M 0.04 C Shift Assignments>> CA :: 55.54500 CB :: 28.49700 CG :: 33.64600 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 :: 8.316216 HA :: 4.426000 HB2 :: 2.037848 HG2 :: 2.350664 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 :: 123.3111 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 K 0.17 D 0.15 R 0.14 C 0.1 F 0.07 Y 0.05 N 0.02 C Shift Assignments>> CA :: 55.24900 CB :: 42.22700 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 :: 8.231561 HA :: 4.321000 HB2 :: 1.612000 HD1 :: 0.8860000 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 :: 125.6151 Ave N Shift Values>> N :: 121.98(4.07) E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.33 K 0.1 M 0.09 Q 0.06 I 0.03 C Shift Assignments>> CA :: 56.17300 CB :: 30.00900 CG :: 36.12800 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 :: 8.346175 HA :: 4.240000 HB2 :: 1.938000 HB3 :: 2.032000 HG2 :: 2.252000 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 :: 123.4246 Ave N Shift Values>> N :: 120.68(3.68) A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.19 C 0.02 C Shift Assignments>> CA :: 52.31000 CB :: 18.99900 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.240243 HA :: 4.277000 HB :: 1.359000 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.7645 Ave N Shift Values>> N :: 123.23(3.7) N10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.17 C 0.16 Y 0.07 F 0.05 L 0.03 E 0.01 C Shift Assignments>> CA :: 52.80000 CB :: 38.71000 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 :: 8.341186 HA :: 4.687000 HB2 :: 2.802000 HD21 :: 6.891000 HD22 :: 7.568000 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 :: 119.7978 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) A11 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 :: 52.42900 CB :: 19.16400 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.196671 HA :: 4.293000 HB :: 1.368000 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.3081 Ave N Shift Values>> N :: 123.23(3.7) D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.17 N 0.13 C 0.11 K 0.09 F 0.08 Y 0.07 R 0.01 C Shift Assignments>> CA :: 54.06300 CB :: 40.88100 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 :: 8.313662 HA :: 4.651000 HB2 :: 2.616000 HB3 :: 2.726000 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 :: 121.4582 Ave N Shift Values>> N :: 120.73(4.2) T13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> CA :: 61.54500 CB :: 69.36800 CG2 :: 21.42600 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 :: 8.028232 HA :: 4.341000 HB :: 4.239000 HG2 :: 1.192000 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 :: 116.1785 Ave N Shift Values>> N :: 115.7(5.05) S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> A69 C Shift Assignments>> CA :: 58.33900 CB :: 63.50800 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.352583 HA :: 4.484000 HB2 :: 3.866000 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 :: 120.6677 Ave N Shift Values>> N :: 116.3(3.95) V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.27 M 0.04 I 0.02 C Shift Assignments>> CA :: 61.90900 CB :: 32.54700 CG1 :: 20.49600 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 :: 8.057923 HA :: 4.138000 HB :: 2.085000 HG2 :: 0.8990000 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 :: 123.2942 Ave N Shift Values>> N :: 121.02(4.96) E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.33 M 0.1 K 0.09 Q 0.06 I 0.03 C Shift Assignments>> CA :: 56.24700 CB :: 30.10700 CG :: 36.11800 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 :: 8.384419 HA :: 4.277000 HB2 :: 1.892000 HB3 :: 2.027000 HG2 :: 2.244000 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 :: 126.3041 Ave N Shift Values>> N :: 120.68(3.68) E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 M 0.1 K 0.08 Q 0.05 I 0.03 HN Overlap>> E18 C Shift Assignments>> CA :: 56.38300 CB :: 30.23500 CG :: 36.15100 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 :: 8.351677 HA :: 4.230000 HB2 :: 1.918000 HB3 :: 2.024000 HG2 :: 2.245000 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 :: 124.0888 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>> E 0.36 C 0.34 M 0.1 K 0.09 Q 0.05 I 0.04 HN Overlap>> M5 E17 C Shift Assignments>> CA :: 56.39400 CB :: 30.17700 CG :: 36.14600 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 :: 8.389320 HA :: 4.230000 HB2 :: 1.915000 HG2 :: 2.191000 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 :: 124.0862 Ave N Shift Values>> N :: 120.68(3.68) S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.76100 CB :: 63.64700 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.202441 HA :: 4.396000 HB2 :: 3.757000 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 :: 118.6621 Ave N Shift Values>> N :: 116.3(3.95) F20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 F 0.24 C 0.19 D 0.08 I 0.07 L 0.06 N 0.03 K 0.02 E 0.01 C Shift Assignments>> CA :: 57.29300 CB :: 39.56100 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 :: 8.250000 HA :: 4.701000 HB2 :: 3.013000 HB3 :: 3.190000 HD1 :: 7.259546 HE1 :: 7.328160 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 :: 124.0364 Ave N Shift Values>> N :: 120.69(4.18) G21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.49 L 0.19 R 0.14 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.57600(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.143128(D) HA2 :: 4.062000(D) HA3 :: 4.074 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.3273(D) Ave N Shift Values>> N :: 109.91(4.29) P22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.62 C 0.22 R 0.07 K 0.03 I 0.02 Q 0.01 C Shift Assignments>> CA :: 62.41400 CB :: 32.38300 CG :: 27.20600 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 :: 4.597907 HB2 :: 2.315792 HB3 :: 1.901236 HG2 :: 1.988662 HD2 :: 3.581459 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) Q23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.2 C 0.2 R 0.15 M 0.14 Q 0.11 E 0.08 K 0.07 C Shift Assignments>> CA :: 53.32500 CB :: 30.63200 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 :: 10.09408(D) HA :: 4.742000(D) HB2 :: 1.979776(D) HG2 :: 2.664149 HE21 :: 6.631000 HE22 :: 7.887000 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 :: 126.5113(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) P24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> CA :: 62.78200 CB :: 31.85400 CG :: 27.46600 CD :: 50.59200 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 :: 4.556068 HB2 :: 2.415094 HB3 :: 2.181225 HG2 :: 2.108035 HD2 :: 3.957858 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) I25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.19 C Shift Assignments>> CA :: 62.93600 CB :: 39.12000 CG1 :: 29.38200 CG2 :: 16.28300 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 :: 7.551565 HA :: 3.819000 HB :: 1.158581 HG2 :: 0.9545676 HG12 :: 1.271981 HG13 :: 1.386726 HD1 :: 0.6914992 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 :: 124.5189 Ave N Shift Values>> N :: 121.6(4.72) S26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.40400 CB :: 61.93100 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.031065 HA :: 4.116000 HB2 :: 3.959000 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 :: 117.7687 Ave N Shift Values>> N :: 116.3(3.95) R27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.36 K 0.14 L 0.03 G 0.02 C Shift Assignments>> CA :: 57.96700 CB :: 29.51400 CG :: 27.44300 CD :: 42.50200 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 :: 8.299527 HA :: 4.176000 HB2 :: 1.800000 HD2 :: 3.282140 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 :: 126.4463 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 L 0.38 K 0.04 A 0.02 C Shift Assignments>> CA :: 56.99800 CB :: 40.51800 CG :: 26.20200 CD1 :: 22.30000 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 :: 8.238582 HA :: 4.031000 HB2 :: 1.257000 HB3 :: 1.776000 HD1 :: 0.7859763 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 :: 117.4080 Ave N Shift Values>> N :: 121.98(4.07) E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.34 I 0.2 K 0.04 M 0.01 C Shift Assignments>> CA :: 58.21000 CB :: 29.26300 CG :: 37.19900 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 :: 7.944904 HA :: 4.798000 HB2 :: 2.192000 HG2 :: 2.355000 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 :: 122.0786 Ave N Shift Values>> N :: 120.68(3.68) Q30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.25 K 0.23 E 0.14 R 0.05 M 0.02 I 0.01 C Shift Assignments>> CA :: 56.80500 CB :: 28.40900 CG :: 34.34200 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 :: 7.457283 HA :: 4.382000 HB2 :: 2.197000 HB3 :: 2.418000 HG2 :: 2.490000 HE21 :: 6.870000 HE22 :: 7.529000 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 :: 118.1414 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) C31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.2 Q 0.14 K 0.13 C 0.13 L 0.12 H 0.1 E 0.08 I 0.07 M 0.01 C Shift Assignments>> CA :: 57.47800 CB :: 27.55600 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.509878 HA :: 4.592000 HB2 :: 2.832000 HB3 :: 3.484000 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 :: 118.7286 Ave N Shift Values>> N :: 119.95(4.79) G32 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 :: 45.19200 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.644527 HA2 :: 3.657000 HA3 :: 4.125387 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.0187 Ave N Shift Values>> N :: 109.91(4.29) I33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 I 0.18 A 0.05 M 0.03 C Shift Assignments>> CA :: 57.76600 CB :: 34.98600 CG1 :: 27.85000 CG2 :: 17.84800 CD1 :: 10.95700 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 :: 7.133618 HA :: 4.184000 HB :: 1.602000 HG2 :: 0.8440000 HG12 :: 1.053017 HG13 :: 1.363861 HD1 :: 0.6340000 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 :: 122.2372 Ave N Shift Values>> N :: 121.6(4.72) N34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 N 0.26 C 0.14 Y 0.1 F 0.09 L 0.09 K 0.01 C Shift Assignments>> CA :: 54.00200 CB :: 39.72700 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 :: 8.991946 HA :: 4.435000 HB2 :: 2.770000 HB3 :: 2.960000 HD21 :: 7.038000 HD22 :: 7.763000 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 :: 127.9416 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.32 I 0.04 C 0.03 V 0.01 C Shift Assignments>> CA :: 55.46600 CB :: 18.42400 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.029000 HA :: 3.866000 HB :: 1.414000 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.8856 Ave N Shift Values>> N :: 123.23(3.7) N36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Y 0.18 N 0.14 E 0.13 F 0.11 D 0.05 I 0.03 M 0.03 L 0.01 K 0.01 C Shift Assignments>> CA :: 55.76000 CB :: 37.67200 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 :: 8.866500 HA :: 4.435000 HB2 :: 2.776000 HD21 :: 6.949000 HD22 :: 7.624000 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 :: 117.7605 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) D37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.23 C 0.18 D 0.1 L 0.08 I 0.06 N 0.03 K 0.03 E 0.01 C Shift Assignments>> CA :: 57.10500 CB :: 39.79600 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 :: 7.654830 HA :: 4.444000 HB2 :: 2.162000 HB3 :: 2.819000 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 :: 123.0845 Ave N Shift Values>> N :: 120.73(4.2) V38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.05 C Shift Assignments>> CA :: 67.49200 CB :: 30.99700 CG1 :: 23.19800 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 :: 7.716177 HA :: 3.342000 HB :: 2.148000 HG1 :: 0.8410000 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 :: 122.1574 Ave N Shift Values>> N :: 121.02(4.96) K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.36 R 0.21 M 0.02 C Shift Assignments>> CA :: 58.85200 CB :: 31.69300 CG :: 24.60300 CD :: 29.20000 CE :: 41.98700 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 :: 7.854529 HA :: 4.231000 HB2 :: 1.932000 HG2 :: 1.521000 HD2 :: 1.725792 HE2 :: 2.980000 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 :: 120.5161 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.36 R 0.21 M 0.01 G 0.01 C Shift Assignments>> CA :: 59.03000 CB :: 32.27700 CG :: 25.15000 CD :: 29.21000 CE :: 42.45000 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 :: 7.296339 HA :: 4.072000 HB2 :: 1.817000 HB3 :: 2.091000 HG2 :: 1.576000 HE2 :: 2.987024 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 :: 119.5707 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 L 0.38 K 0.06 C Shift Assignments>> CA :: 58.11900 CB :: 40.81200 CG :: 25.64300 CD1 :: 22.99900 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 :: 7.713519 HA :: 4.079000 HB2 :: 1.357000 HB3 :: 2.267000 HG :: 1.886000 HD1 :: 0.5477591 HD2 :: 0.6887378 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 :: 121.0183 Ave N Shift Values>> N :: 121.98(4.07) E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 I 0.32 E 0.28 K 0.02 M 0.01 C Shift Assignments>> CA :: 59.70600 CB :: 29.77700 CG :: 37.43500 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 :: 8.513245 HA :: 4.061000 HB2 :: 2.094000 HB3 :: 2.281000 HG2 :: 2.406000 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 :: 123.1557 Ave N Shift Values>> N :: 120.68(3.68) E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.34 I 0.2 K 0.06 M 0.01 Q 0.01 C Shift Assignments>> CA :: 58.64100 CB :: 29.23300 CG :: 36.78800 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 :: 8.487332 HA :: 4.015000 HB2 :: 2.138000 HG2 :: 2.293000 HG3 :: 2.516000 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 :: 122.4367 Ave N Shift Values>> N :: 120.68(3.68) A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.15 C 0.02 C Shift Assignments>> CA :: 51.78800 CB :: 19.25600 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.422805 HA :: 4.424000 HB :: 1.695000 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.7962 Ave N Shift Values>> N :: 123.23(3.7) G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 L 0.21 R 0.18 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.41400 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.639397 HA2 :: 3.396000 HA3 :: 4.074000 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.7529 Ave N Shift Values>> N :: 109.91(4.29) F46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 C 0.23 F 0.2 I 0.07 E 0.07 D 0.05 N 0.04 L 0.02 M 0.01 C Shift Assignments>> CA :: 57.07010 CB :: 38.52800 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 :: 8.051931 HA :: 4.338213 HB2 :: 2.530000 HB3 :: 2.772000 HD1 :: 7.210338 HE1 :: 7.056135 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 :: 122.2065 Ave N Shift Values>> N :: 120.69(4.18) H47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 R 0.17 C 0.15 Q 0.14 E 0.13 M 0.1 K 0.08 C Shift Assignments>> CA :: 55.52100 CB :: 30.43400 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 :: 8.593471 HA :: 4.912000 HB2 :: 3.081000 HB3 :: 3.453481 HD2 :: 7.087505 HE1 :: 8.252164 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 :: 117.4625 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) T48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 T 0.43 A 0.06 C Shift Assignments>> CA :: 57.71700 CB :: 72.25400 CG2 :: 21.82400 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 :: 7.590190 HA :: 5.326000 HB :: 4.791476 HG2 :: 1.106376 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 :: 111.8634 Ave N Shift Values>> N :: 115.7(5.05) V49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.57 P 0.28 I 0.09 C 0.04 C Shift Assignments>> CA :: 66.28700 CB :: 31.51100 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 :: 8.832468(D) HA :: 3.344000(D) HB :: 1.840198(D) HG1 :: 0.8460000(D) 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 :: 122.8329(D) Ave N Shift Values>> N :: 121.02(4.96) E50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.69 C 0.26 E 0.03 C Shift Assignments>> CA :: 61.64700(D) CB :: 28.59700 CG :: 38.74600 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 :: 10.02730(D) HA :: 3.586757(D) HB2 :: 1.837401(D) HB3 :: 2.096397(D) HG2 :: 2.183575 HG3 :: 2.592385 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 :: 122.6162(D) Ave N Shift Values>> N :: 120.68(3.68) A51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.52 M 0.4 C 0.03 L 0.01 I 0.01 C Shift Assignments>> CA :: 54.39300 CB :: 19.26400 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.840075(D) HA :: 4.175000(D) HB :: 1.718000(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.2525(D) Ave N Shift Values>> N :: 123.23(3.7) V52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.27 V 0.2 P 0.2 T 0.15 I 0.12 C 0.01 C Shift Assignments>> CA :: 64.30500 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 :: 7.174784 HA :: 3.512000 HB :: 1.842000 HG1 :: 0.6340000 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 :: 117.2374 Ave N Shift Values>> N :: 121.02(4.96) A53 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable Y54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.22 N 0.2 C 0.18 Y 0.17 F 0.09 E 0.06 D 0.02 C Shift Assignments>> CB :: 37.86300 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> HB2 :: 2.725637 HB3 :: 3.378473 HD1 :: 7.179313 HE1 :: 6.727045 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.11 C 0.01 C Shift Assignments>> CA :: 50.51600 CB :: 18.17100 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.582227 HA :: 4.596000 HB :: 1.362000 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.0878 Ave N Shift Values>> N :: 123.23(3.7) P56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> CA :: 61.76300 CB :: 31.75400 CG :: 27.93400 CD :: 50.15400 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 :: 4.490181 HB2 :: 1.869453 HB3 :: 2.418571 HG2 :: 2.098161 HG3 :: 2.173575 HD2 :: 3.659271 HD3 :: 4.035035 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) K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.37 R 0.19 M 0.01 G 0.01 C Shift Assignments>> CA :: 60.42500 CB :: 31.77900 CG :: 25.34300 CD :: 29.82100 CE :: 42.01100 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 :: 8.773128 HA :: 3.655576 HB2 :: 1.768000 HG2 :: 1.258167 HE2 :: 2.862415 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 :: 128.4244 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.18 M 0.03 C Shift Assignments>> CA :: 58.62900 CB :: 32.00500 CG :: 24.51900 CD :: 29.30600 CE :: 41.89500 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 :: 8.472838 HA :: 3.910000 HB2 :: 1.707000 HB3 :: 1.830296 HG2 :: 1.400000 HE2 :: 2.978494 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 :: 116.3484 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 I 0.13 K 0.07 M 0.03 Q 0.02 C Shift Assignments>> CA :: 57.92600 CB :: 29.53700 CG :: 36.63900 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 :: 7.441406 HA :: 4.226000 HB2 :: 2.094000 HB3 :: 2.297000 HG2 :: 2.417000 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 :: 117.4751 Ave N Shift Values>> N :: 120.68(3.68) L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.38 K 0.09 G 0.01 C Shift Assignments>> CA :: 57.12600 CB :: 41.91300 CG :: 25.60500 CD1 :: 23.05000 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 :: 7.346547 HA :: 4.107000 HB2 :: 1.148000 HB3 :: 1.829000 HG :: 1.470958 HD1 :: 0.3150000 HD2 :: 0.6258753 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 :: 120.5019 Ave N Shift Values>> N :: 121.98(4.07) I61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.26 C Shift Assignments>> CA :: 62.12400 CB :: 37.20600 CG1 :: 26.58300 CG2 :: 18.06700 CD1 :: 13.82300 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 :: 7.512108 HA :: 4.283000 HB :: 2.040000 HG2 :: 0.7882882 HG12 :: 1.153000 HG13 :: 1.310344 HD1 :: 0.7880000 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 :: 111.1375 Ave N Shift Values>> N :: 121.6(4.72) N62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.19 C 0.15 Y 0.07 F 0.06 L 0.03 E 0.01 C Shift Assignments>> CA :: 53.12800 CB :: 38.82500 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 :: 7.099671 HA :: 4.684000 HB2 :: 2.764000 HB3 :: 2.895000 HD21 :: 6.784000 HD22 :: 7.628000 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 :: 119.1712 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) I63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.32 C Shift Assignments>> CA :: 61.41400 CB :: 37.16000 CG1 :: 27.21500 CG2 :: 17.54400 CD1 :: 15.16400 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 :: 7.540831 HA :: 3.864000 HB :: 2.036000 HG2 :: 0.8350000 HG12 :: 1.936833 HD1 :: 0.9410000 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 :: 125.4873 Ave N Shift Values>> N :: 121.6(4.72) K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.34 R 0.25 M 0.02 C Shift Assignments>> CA :: 58.17800 CB :: 31.38300 CG :: 24.57200 CD :: 29.00100 CE :: 42.08300 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 :: 8.507549 HA :: 3.970000 HB2 :: 1.779000 HG2 :: 1.360029 HD2 :: 1.465178 HE2 :: 3.006271 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 :: 131.2483 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.17 R 0.12 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.69000 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.703726 HA2 :: 3.649000 HA3 :: 4.184000 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.1282 Ave N Shift Values>> N :: 109.91(4.29) I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 I 0.04 M 0.01 A 0.01 C Shift Assignments>> CA :: 58.84000 CB :: 33.88200 CG1 :: 26.22300 CG2 :: 17.07200 CD1 :: 9.127596 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 :: 8.078434 HA :: 4.127000 HB :: 2.615000 HG2 :: 0.5837966 HG12 :: 1.127002 HD1 :: 0.5830000 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 :: 125.4702 Ave N Shift Values>> N :: 121.6(4.72) S67 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 :: 56.16900 CB :: 65.39500 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 6.956452 HA :: 4.546000 HB2 :: 4.024000 HB3 :: 4.382000 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 :: 122.1272 Ave N Shift Values>> N :: 116.3(3.95) E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.44 C 0.31 E 0.19 K 0.03 C Shift Assignments>> CA :: 60.78900 CB :: 28.69300 CG :: 36.83900 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 :: 9.055310 HA :: 3.712000 HB2 :: 2.042000 HG2 :: 2.249000 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 :: 122.6577 Ave N Shift Values>> N :: 120.68(3.68) A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.45 C 0.02 I 0.02 HN Overlap>> S14 C Shift Assignments>> CA :: 54.50400 CB :: 17.98600 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.252680 HA :: 4.170000 HB :: 1.373000 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.7125 Ave N Shift Values>> N :: 123.23(3.7) K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.41 R 0.12 M 0.02 C Shift Assignments>> CA :: 58.70300 CB :: 31.94000 CG :: 24.84700 CD :: 28.99100 CE :: 41.11900 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 :: 7.728220 HA :: 4.020000 HB2 :: 1.763000 HB3 :: 1.956000 HG2 :: 1.520000 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 :: 121.4258 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.37 I 0.03 C 0.03 C Shift Assignments>> CA :: 55.17900 CB :: 18.38000 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.742566 HA :: 3.705000 HB :: 1.298000 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.8669 Ave N Shift Values>> N :: 123.23(3.7) D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.24 C 0.18 D 0.09 L 0.08 I 0.06 K 0.03 N 0.02 E 0.01 HN Overlap>> T104 C Shift Assignments>> CA :: 57.27800 CB :: 39.85000 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 :: 8.232890 HA :: 4.332000 HB2 :: 2.549000 HB3 :: 2.722000 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 :: 118.1113 Ave N Shift Values>> N :: 120.73(4.2) K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.35 R 0.22 M 0.02 G 0.01 C Shift Assignments>> CA :: 58.77000 CB :: 32.12600 CG :: 24.77500 CD :: 29.11800 CE :: 42.32200 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 :: 7.417854 HA :: 4.166000 HB2 :: 1.897000 HB3 :: 2.003000 HG2 :: 1.413000 HD2 :: 1.634390 HE2 :: 2.856598 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 :: 123.5192 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 C 0.07 C Shift Assignments>> CA :: 66.06900 CB :: 38.03000 CG1 :: 30.22700 CG2 :: 17.94600 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 :: 8.537052 HA :: 3.288000 HB :: 1.731000 HG2 :: 0.5960000 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 :: 121.5239 Ave N Shift Values>> N :: 121.6(4.72) L75 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 C Shift Assignments>> CA :: 57.97300 CB :: 41.53500 CG :: 27.14400 CD1 :: 23.40400 CD2 :: 24.81500 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 :: 8.366426 HA :: 3.812000 HB2 :: 1.373018 HB3 :: 1.822990 HD1 :: 0.8295414 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 :: 119.5662 Ave N Shift Values>> N :: 121.98(4.07) A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.44 C 0.02 I 0.02 C Shift Assignments>> CA :: 54.65300 CB :: 18.13000 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.909736 HA :: 4.077000 HB :: 1.487000 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.3779 Ave N Shift Values>> N :: 123.23(3.7) E77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.22 K 0.19 Q 0.17 I 0.05 R 0.02 M 0.01 C Shift Assignments>> CA :: 57.33300 CB :: 28.25800 CG :: 35.16500 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 :: 8.260735 HA :: 4.220000 HB2 :: 1.725000 HB3 :: 2.050321 HG2 :: 2.322788 HG3 :: 2.652291 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 :: 117.8219 Ave N Shift Values>> N :: 120.68(3.68) A78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.33 I 0.04 C 0.02 C Shift Assignments>> CA :: 55.03900 CB :: 17.53300 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.638438 HA :: 3.768000 HB :: 1.279000 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.0262 Ave N Shift Values>> N :: 123.23(3.7) A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.45 C 0.02 I 0.01 C Shift Assignments>> CA :: 54.23000 CB :: 17.88700 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.696017 HA :: 3.897000 HB :: 1.420000 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.2211 Ave N Shift Values>> N :: 123.23(3.7) K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.37 R 0.21 M 0.02 C Shift Assignments>> CA :: 57.91700 CB :: 32.55400 CG :: 25.36800 CD :: 29.63200 CE :: 41.89800 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 :: 7.031946 HA :: 4.069000 HB2 :: 1.713000 HB3 :: 1.937000 HG2 :: 1.431000 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 :: 116.1914 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.28 G 0.11 A 0.11 K 0.02 C Shift Assignments>> CA :: 54.76800 CB :: 43.31200 CG :: 26.29500 CD1 :: 22.20200 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 :: 7.279928 HA :: 4.321000 HB2 :: 1.686000 HB3 :: 1.832000 HD1 :: 0.7419785 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 :: 118.8760 Ave N Shift Values>> N :: 121.98(4.07) V82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 V 0.19 K 0.12 R 0.09 M 0.09 E 0.07 H 0.06 Q 0.05 I 0.03 P 0.02 C Shift Assignments>> CA :: 59.72200 CB :: 32.38100 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 :: 7.219203 HA :: 4.388000 HB :: 2.088000 HG1 :: 0.7570000 HG2 :: 0.8480000 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 :: 119.7020 Ave N Shift Values>> N :: 121.02(4.96) P83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> CA :: 63.01200 CB :: 31.52700 CG :: 27.45400 CD :: 50.52600 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 :: 4.425705 HB2 :: 1.889191 HB3 :: 2.434830 HG2 :: 2.108903 HG3 :: 2.201314 HD2 :: 3.700957 HD3 :: 3.958930 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) M84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 K 0.19 C 0.18 Q 0.11 R 0.1 H 0.1 E 0.06 V 0.01 C Shift Assignments>> CA :: 55.72000 CB :: 32.56200 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 :: 8.397916 HA :: 4.439000 HB2 :: 1.996000 HG2 :: 2.548000 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 :: 122.8833 Ave N Shift Values>> N :: 120.1(3.88) G85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> CA :: 45.05900 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.305767 HA2 :: 3.86600 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.2864 Ave N Shift Values>> N :: 109.91(4.29) F86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.26 C 0.2 I 0.09 D 0.06 L 0.04 E 0.02 N 0.02 K 0.01 C Shift Assignments>> CA :: 57.77900 CB :: 39.40400 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 :: 7.961182 HA :: 4.591000 HB2 :: 3.048000 HD1 :: 7.172767 HE1 :: 7.260832 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 :: 121.7226 Ave N Shift Values>> N :: 120.69(4.18) T87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 HN Overlap>> T88 C Shift Assignments>> CA :: 61.62800 CB :: 69.59600 CG2 :: 21.34500 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 :: 8.034599 HA :: 4.332000 HB :: 4.183000 HG2 :: 1.152089 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 :: 117.0006 Ave N Shift Values>> N :: 115.7(5.05) T88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 HN Overlap>> T87 C Shift Assignments>> CA :: 61.63200 CB :: 69.59900 CG2 :: 21.60200 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 :: 8.004180 HB :: 4.289000 HG2 :: 1.186000 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 :: 117.0730 Ave N Shift Values>> N :: 115.7(5.05) A89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.23 C 0.02 C Shift Assignments>> CA :: 52.74800 CB :: 18.83900 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.283917 HA :: 4.287000 HB :: 1.383000 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.6307 Ave N Shift Values>> N :: 123.23(3.7) T90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> CA :: 62.41800 CB :: 69.34200 CG2 :: 21.59800 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 :: 7.991000 HB :: 4.169000 HG2 :: 1.146000 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 :: 114.7088 Ave N Shift Values>> N :: 115.7(5.05) E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 K 0.11 M 0.07 Q 0.07 I 0.05 C Shift Assignments>> CA :: 56.91400 CB :: 29.81900 CG :: 36.01500 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 :: 8.201937 HA :: 4.169000 HB2 :: 1.879000 HG2 :: 2.099000 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 :: 124.1593 Ave N Shift Values>> N :: 120.68(3.68) F92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.26 C 0.2 I 0.13 D 0.03 L 0.02 E 0.02 N 0.01 C Shift Assignments>> CA :: 58.34300 CB :: 39.14900 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 :: 8.071977 HA :: 4.402000 HB2 :: 2.978000 HD1 :: 7.086693 HE1 :: 7.272739 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 :: 122.3236 Ave N Shift Values>> N :: 120.69(4.18) H93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 R 0.16 E 0.15 Q 0.14 C 0.14 K 0.1 M 0.08 I 0.01 V 0.01 C Shift Assignments>> CA :: 56.44200 CB :: 30.19500 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 :: 8.097771 HA :: 4.489000 HB2 :: 3.032000 HD2 :: 7.023530 HE1 :: 7.969058 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 :: 121.6556 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) Q94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> H 0.17 Q 0.15 R 0.15 E 0.15 C 0.13 K 0.11 M 0.07 I 0.01 C Shift Assignments>> CA :: 56.21300 CB :: 29.95100 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) R95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.18 K 0.17 H 0.16 C 0.12 E 0.12 R 0.11 M 0.04 L 0.03 I 0.02 C Shift Assignments>> CA :: 56.01100 CB :: 28.99100 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 :: 8.157928 HA :: 4.213000 HB2 :: 1.989000 HB3 :: 2.305000 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 :: 122.5178 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) R96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.36 K 0.1 G 0.05 L 0.01 C Shift Assignments>> CA :: 56.24400 CB :: 30.40700 CG :: 26.89100 CD :: 43.15100 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>> HA :: 4.277000 HB2 :: 1.775000 HG2 :: 1.618000 HD2 :: 3.135057 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 :: 123.7221 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) S97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.58200 CB :: 63.39300 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.244724 HA :: 4.340721 HB2 :: 3.853000 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 :: 118.3098 Ave N Shift Values>> N :: 116.3(3.95) E98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 K 0.1 M 0.09 Q 0.06 I 0.04 C Shift Assignments>> CA :: 56.43900 CB :: 30.02000 CG :: 36.12200 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 :: 8.330745 HA :: 4.284000 HB2 :: 1.935000 HB3 :: 2.034000 HG2 :: 2.245000 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 :: 124.4197 Ave N Shift Values>> N :: 120.68(3.68) I99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> CA :: 61.02600 CB :: 38.22700 CG1 :: 27.19000 CG2 :: 17.35400 CD1 :: 12.73900 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 :: 8.029654 HA :: 4.114104 HB :: 1.832000 HG2 :: 1.154000 HG12 :: 1.461000 HD1 :: 0.8392527 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 :: 123.1802 Ave N Shift Values>> N :: 121.6(4.72) I100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> CA :: 60.79800 CB :: 38.23000 CG1 :: 27.18400 CG2 :: 17.29000 CD1 :: 12.55500 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 :: 8.117032 HA :: 4.122000 HB :: 1.830000 HG2 :: 1.163000 HG12 :: 1.450000 HD1 :: 0.8460000 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 :: 126.9850 Ave N Shift Values>> N :: 121.6(4.72) Q101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 K 0.25 C 0.24 E 0.09 M 0.07 R 0.05 C Shift Assignments>> CA :: 55.51900 CB :: 29.28400 CG :: 33.63300 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 :: 8.357488 HA :: 4.353000 HB2 :: 1.943000 HB3 :: 2.029000 HG2 :: 2.306000 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 :: 126.6181 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) I102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> CA :: 60.95800 CB :: 38.47900 CG1 :: 27.07500 CG2 :: 17.35100 CD1 :: 12.75000 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 :: 8.236801 HA :: 4.230000 HB :: 1.877000 HG2 :: 1.197000 HG12 :: 1.511000 HD1 :: 0.8910000 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 :: 124.6451 Ave N Shift Values>> N :: 121.6(4.72) T103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> CA :: 61.44600 CB :: 69.56400 CG2 :: 21.34500 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 :: 8.268383 HA :: 4.445000 HB :: 4.250000 HG2 :: 1.189000 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 :: 119.8996 Ave N Shift Values>> N :: 115.7(5.05) T104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 HN Overlap>> D72 C Shift Assignments>> CA :: 61.86000 CB :: 69.56900 CG2 :: 21.39600 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 :: 8.194077 HA :: 4.340000 HB :: 4.233000 HG2 :: 1.205000 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 :: 118.0567 Ave N Shift Values>> N :: 115.7(5.05) G105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> CA :: 45.03900 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.407466 HA2 :: 4.001000 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.1436 Ave N Shift Values>> N :: 109.91(4.29) S106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.04700 CB :: 63.60300 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.181786 HA :: 4.441000 HB2 :: 3.861000 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 :: 117.5863 Ave N Shift Values>> N :: 116.3(3.95) K107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.36 R 0.2 M 0.03 C Shift Assignments>> CA :: 56.41100 CB :: 32.59700 CG :: 24.52800 CD :: 28.88500 CE :: 41.97334 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 :: 8.417376 HA :: 4.316000 HB2 :: 1.812000 HG2 :: 1.424000 HE2 :: 2.981000 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 :: 125.3762 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 K 0.11 M 0.06 Q 0.06 I 0.05 C Shift Assignments>> CA :: 56.66100 CB :: 29.70400 CG :: 36.15500 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 :: 8.367821 HA :: 4.225000 HB2 :: 1.915000 HB3 :: 2.032000 HG2 :: 2.249000 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 :: 123.1199 Ave N Shift Values>> N :: 120.68(3.68) L109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.3 R 0.05 A 0.02 G 0.01 C Shift Assignments>> CA :: 55.35700 CB :: 41.96500 CG :: 26.96400 CD1 :: 23.13000 CD2 :: 24.83100 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 :: 8.101938 HA :: 4.229595 HB2 :: 1.624000 HD1 :: 0.8888118 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 :: 124.0162 Ave N Shift Values>> N :: 121.98(4.07) D110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.16 N 0.12 C 0.12 F 0.1 Y 0.09 K 0.08 R 0.01 C Shift Assignments>> CA :: 54.48900 CB :: 40.68700 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 :: 8.197801 HA :: 4.493000 HB2 :: 2.645000 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 :: 122.2604 Ave N Shift Values>> N :: 120.73(4.2) K111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.35 R 0.2 M 0.03 C Shift Assignments>> CA :: 56.23200 CB :: 32.60400 CG :: 24.51800 CD :: 28.97900 CE :: 42.04400 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 :: 7.973685 HA :: 4.234000 HB2 :: 1.734000 HB3 :: 1.816000 HG2 :: 1.414000 HE2 :: 2.979000 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 :: 122.6052 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.29 R 0.04 A 0.02 C Shift Assignments>> CA :: 55.12900 CB :: 41.81200 CG :: 26.96000 CD1 :: 23.19800 CD2 :: 24.80500 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 :: 8.084210 HA :: 4.285000 HB2 :: 1.632647 HD1 :: 0.8900000 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 :: 123.8266 Ave N Shift Values>> N :: 121.98(4.07) L113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.27 R 0.04 A 0.04 C Shift Assignments>> CA :: 54.70100 CB :: 41.81300 CG :: 26.93000 CD1 :: 23.05900 CD2 :: 24.94800 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 :: 8.022447 HA :: 4.366000 HB2 :: 1.628000 HD1 :: 0.8860000 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 :: 124.4947 Ave N Shift Values>> N :: 121.98(4.07) Q114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 E 0.17 H 0.15 C 0.14 Q 0.13 K 0.08 M 0.08 I 0.02 V 0.01 C Shift Assignments>> CA :: 57.24800 CB :: 30.41300 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 :: 7.716180 HA :: 4.131000 HB2 :: 1.897000 HB3 :: 2.092000 HG2 :: 2.256000 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 :: 127.4527 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) ########################################################################### Overall Results: #Consistent: 109 #Clerical: 5 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 112 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 114 #Suspicious: 0 C Shift Results: #Consistent: 328 #Duplicate: 2 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 484 #Duplicate: 16 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 101 #Duplicate: 5 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: G21 CA = 44.57600(D), Expected = 45.33, Std = 1.4200, ChiSquare = 5.9543e-01 G21 H = 8.143128(D), Expected = 8.34, Std = 0.7400, ChiSquare = 7.9021e-01 G21 HA2 = 4.062000(D), Expected = 3.95, Std = 0.4000, ChiSquare = 7.7948e-01 G21 N = 112.3273(D), Expected = 109.91, Std = 4.2900, ChiSquare = 5.7311e-01 Q23 H = 10.09408(D), Expected = 8.22, Std = 0.6200, ChiSquare = 2.5052e-03 Q23 HA = 4.742000(D), Expected = 4.28, Std = 0.4400, ChiSquare = 2.9372e-01 Q23 HB2 = 1.979776(D), Expected = 2.05, Std = 0.2800, ChiSquare = 8.0197e-01 Q23 N = 126.5113(D), Expected = 119.92, Std = 4.0100, ChiSquare = 1.0023e-01 V49 H = 8.832468(D), Expected = 8.29, Std = 0.7100, ChiSquare = 4.4484e-01 V49 HA = 3.344000(D), Expected = 4.16, Std = 0.5700, ChiSquare = 1.5226e-01 V49 HB = 1.840198(D), Expected = 1.99, Std = 0.3300, ChiSquare = 6.4987e-01 V49 HG1 = 0.8460000(D), Expected = 0.84, Std = 0.2700, ChiSquare = 9.8227e-01 V49 N = 122.8329(D), Expected = 121.02, Std = 4.9600, ChiSquare = 7.1473e-01 E50 CA = 61.64700(D), Expected = 57.42, Std = 2.1900, ChiSquare = 5.3590e-02 E50 H = 10.02730(D), Expected = 8.34, Std = 0.6100, ChiSquare = 5.6737e-03 E50 HA = 3.586757(D), Expected = 4.26, Std = 0.4300, ChiSquare = 1.1742e-01 E50 HB2 = 1.837401(D), Expected = 2.04, Std = 0.2200, ChiSquare = 3.5710e-01 E50 HB3 = 2.096397(D), Expected = 2.04, Std = 0.2300, ChiSquare = 8.0630e-01 E50 N = 122.6162(D), Expected = 120.68, Std = 3.6800, ChiSquare = 5.9879e-01 A51 H = 7.840075(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.4859e-01 A51 HA = 4.175000(D), Expected = 4.26, Std = 0.4200, ChiSquare = 8.3962e-01 A51 HB = 1.718000(D), Expected = 1.38, Std = 0.2500, ChiSquare = 1.7638e-01 A51 N = 120.2525(D), Expected = 123.23, Std = 3.7000, ChiSquare = 4.2098e-01