Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.19 D 0.19 L 0.17 F 0.13 Y 0.09 C 0.08 I 0.05 N 0.03 R 0.03 C Shift Assignments>> CA :: 41.382 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.767 HA3 :: 3.767 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.98 C 0.01 C Shift Assignments>> C :: 172.651 CA :: 56.261 CB :: 61.445 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.428 HB2 :: 3.842 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) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 L 0.27 C 0.08 G 0.07 D 0.05 K 0.05 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 172.041 CA :: 43.340 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.417 HA2 :: 3.931 HA3 :: 3.931 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.289 Ave N Shift Values>> N :: 109.91(4.29) 1.N8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 C 0.3 M 0.05 E 0.04 Y 0.04 D 0.02 F 0.02 K 0.01 C Shift Assignments>> C :: 173.721 CA :: 51.834 CB :: 36.667 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 :: 8.290 HA :: 4.639 HB2 :: 2.709 HB3 :: 2.791 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 :: 118.763 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 C 0.22 Y 0.14 D 0.11 F 0.1 E 0.06 L 0.02 M 0.01 I 0.01 C Shift Assignments>> C :: 174.657 CA :: 54.709 CB :: 38.164 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 :: 8.469 HA :: 4.415 HB2 :: 2.639 HB3 :: 2.575 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 :: 120.254 Ave N Shift Values>> N :: 120.73(4.2) 1.D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.26 C 0.19 D 0.16 Y 0.15 F 0.12 L 0.04 E 0.03 I 0.01 HN Overlap>> 1.K113 1.K113 C Shift Assignments>> CA :: 54.755 CB :: 38.706 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 :: 8.039 HA :: 4.415 HB2 :: 2.595 HB3 :: 2.621 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 :: 118.304 Ave N Shift Values>> N :: 120.73(4.2) 1.I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 I 0.4 C Shift Assignments>> CA :: 62.161 CB :: 35.730 CG1 :: 26.283 CG2 :: 14.971 CD1 :: 10.637 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 :: 7.611 HA :: 3.741 HB :: 1.932 HG12 :: 1.579 HG13 :: 1.195 HG21 :: 0.852 HG22 :: 0.852 HG23 :: 0.852 HD11 :: 0.822 HD12 :: 0.822 HD13 :: 0.822 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 :: 115.199 Ave N Shift Values>> N :: 121.6(4.72) 1.I12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.71 C 0.28 C Shift Assignments>> C :: 175.418 CA :: 62.652 CB :: 36.411 CG1 :: 26.199 CG2 :: 16.047 CD1 :: 12.105 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>> HA :: 4.089 HB :: 2.154 HG12 :: 1.035 HG13 :: 1.839 HG21 :: 1.048 HG22 :: 1.048 HG23 :: 1.048 HD11 :: 0.906 HD12 :: 0.906 HD13 :: 0.906 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) 1.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.24 I 0.02 C Shift Assignments>> C :: 174.760 CA :: 65.245 CB :: 29.421 CG1 :: 18.937 CG2 :: 20.488 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 :: 8.137 HA :: 2.885 HB :: 1.715 HG11 :: 0.437 HG12 :: 0.437 HG13 :: 0.437 HG21 :: 0.059 HG22 :: 0.059 HG23 :: 0.059 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 :: 119.964 Ave N Shift Values>> N :: 121.02(4.96) 1.N14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 M 0.16 E 0.15 N 0.12 K 0.08 Q 0.06 Y 0.04 F 0.01 C Shift Assignments>> C :: 175.091 CA :: 53.986 CB :: 35.616 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 :: 8.184 HA :: 4.338 HB2 :: 2.729 HB3 :: 2.788 HD21 :: 7.524 HD22 :: 6.892 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 :: 114.453 ND2 :: 112.259 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.W15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 W 0.05 C Shift Assignments>> C :: 177.184 CA :: 60.438 CB :: 26.132 CD1 :: 125.066 CE3 :: 118.316 CZ2 :: 112.339 CZ3 :: 118.358 CH2 :: 121.008 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 :: 7.844 HA :: 4.049 HB2 :: 3.677 HB3 :: 3.293 HD1 :: 7.275 HE1 :: 10.033 HE3 :: 7.433 HZ2 :: 7.195 HZ3 :: 6.836 HH2 :: 6.814 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 :: 121.274 NE1 :: 130.317 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.41 I 0.02 C Shift Assignments>> C :: 174.743 CA :: 64.611 CB :: 29.437 CG1 :: 18.307 CG2 :: 21.536 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 :: 9.032 HA :: 2.866 HB :: 2.114 HG11 :: 0.579 HG12 :: 0.579 HG13 :: 0.579 HG21 :: 1.102 HG22 :: 1.102 HG23 :: 1.102 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 :: 123.152 Ave N Shift Values>> N :: 121.02(4.96) 1.N17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 M 0.2 E 0.11 Q 0.1 K 0.1 N 0.07 Y 0.02 W 0.01 R 0.01 C Shift Assignments>> C :: 176.816 CA :: 53.608 CB :: 35.082 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 :: 8.044 HA :: 4.353 HB2 :: 2.532 HB3 :: 2.621 HD21 :: 7.160 HD22 :: 7.788 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 :: 115.928 ND2 :: 110.579 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.25 K 0.21 R 0.11 E 0.07 I 0.01 M 0.01 C Shift Assignments>> C :: 175.849 CA :: 57.078 CB :: 27.267 CG :: 33.867 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 :: 8.330 HA :: 3.867 HB2 :: 1.812 HB3 :: 1.924 HG2 :: 2.111 HG3 :: 2.190 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 :: 121.598 Ave N Shift Values>> N :: 120.68(3.68) 1.T19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.42 T 0.29 C 0.27 HN Overlap>> 1.M104 1.M104 C Shift Assignments>> C :: 174.850 CA :: 64.492 CB :: 65.236 CG2 :: 18.635 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 :: 7.804 HA :: 3.394 HB :: 3.254 HG21 :: 0.636 HG22 :: 0.636 HG23 :: 0.636 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 :: 118.512 Ave N Shift Values>> N :: 115.7(5.05) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 A 0.26 L 0.04 C Shift Assignments>> C :: 175.873 CA :: 56.077 CB :: 39.381 CG :: 24.388 CD1 :: 22.886 CD2 :: 20.456 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 :: 8.095 HA :: 3.521 HB2 :: 1.789 HB3 :: 1.128 HG :: 1.695 HD11 :: 0.600 HD12 :: 0.600 HD13 :: 0.600 HD21 :: 0.557 HD22 :: 0.557 HD23 :: 0.557 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 :: 121.097 Ave N Shift Values>> N :: 121.98(4.07) 1.R21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 L 0.34 C 0.25 R 0.03 C Shift Assignments>> C :: 179.171 CA :: 57.212 CB :: 27.619 CG :: 24.773 CD :: 41.223 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 :: 7.886 HA :: 3.963 HB2 :: 1.846 HB3 :: 1.790 HG2 :: 1.470 HG3 :: 1.621 HD2 :: 3.086 HD3 :: 3.086 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 :: 118.740 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 Q 0.25 K 0.17 R 0.09 E 0.07 I 0.01 M 0.01 HN Overlap>> 1.N99 1.N99 C Shift Assignments>> C :: 174.851 CA :: 56.748 CB :: 26.821 CG :: 34.135 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 :: 8.291 HA :: 3.916 HB2 :: 1.985 HB3 :: 1.985 HG2 :: 2.188 HG3 :: 2.326 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 :: 121.189 Ave N Shift Values>> N :: 120.68(3.68) 1.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.08 G 0.05 C 0.01 C Shift Assignments>> C :: 172.837 CA :: 49.184 CB :: 17.365 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.087 HA :: 4.438 HB1 :: 1.415 HB2 :: 1.415 HB3 :: 1.415 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.713 Ave N Shift Values>> N :: 123.23(3.7) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.35 M 0.1 Q 0.03 R 0.01 V 0.01 C Shift Assignments>> C :: 173.807 CA :: 54.965 CB :: 24.114 CG :: 34.575 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 :: 7.879 HA :: 3.740 HB2 :: 2.100 HB3 :: 2.100 HG2 :: 2.049 HG3 :: 2.049 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 :: 113.207 Ave N Shift Values>> N :: 120.68(3.68) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 C 0.46 M 0.01 C Shift Assignments>> C :: 175.661 CA :: 50.408 CB :: 30.810 CG :: 21.849 CD :: 26.842 CE :: 39.593 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 :: 7.986 HA :: 4.487 HB2 :: 1.614 HB3 :: 1.752 HG2 :: 1.399 HG3 :: 1.114 HD2 :: 1.612 HD3 :: 1.545 HE2 :: 3.260 HE3 :: 2.769 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 :: 114.951 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.419 CA :: 56.390 CB :: 61.594 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.070 HA :: 4.355 HB2 :: 3.866 HB3 :: 3.788 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 :: 116.201 Ave N Shift Values>> N :: 116.3(3.95) 1.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 HN Overlap>> 1.M102 1.M102 C Shift Assignments>> C :: 169.310 CA :: 55.291 CB :: 62.142 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 6.953 HA :: 4.350 HB2 :: 3.558 HB3 :: 3.639 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 :: 114.648 Ave N Shift Values>> N :: 116.3(3.95) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.I84 1.I84 C Shift Assignments>> C :: 171.176 CA :: 55.664 CB :: 62.279 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.431 HA :: 4.251 HB2 :: 3.691 HB3 :: 3.419 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 :: 110.034 Ave N Shift Values>> N :: 116.3(3.95) 1.I29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 A 0.12 I 0.07 C Shift Assignments>> C :: 173.906 CA :: 56.638 CB :: 39.695 CG1 :: 22.143 CG2 :: 16.597 CD1 :: 11.304 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 :: 9.211 HA :: 5.004 HB :: 1.821 HG12 :: 1.186 HG13 :: 0.598 HG21 :: 0.665 HG22 :: 0.665 HG23 :: 0.665 HD11 :: -0.004 HD12 :: -0.004 HD13 :: -0.004 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 :: 112.068 Ave N Shift Values>> N :: 121.6(4.72) 1.S30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.519 CA :: 56.560 CB :: 61.692 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 10.236 HA :: 4.309 HB2 :: 3.735 HB3 :: 3.834 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 :: 116.858 Ave N Shift Values>> N :: 116.3(3.95) 1.S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.92 C 0.07 C Shift Assignments>> C :: 171.030 CA :: 55.326 CB :: 60.933 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.671 HA :: 3.917 HB2 :: 4.120 HB3 :: 4.120 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 :: 111.936 Ave N Shift Values>> N :: 116.3(3.95) 1.F32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 169.346 CA :: 55.485 CB :: 34.701 CD1 :: 128.249 CD2 :: 128.249 CE1 :: 128.989 CE2 :: 128.989 CZ :: 126.613 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 :: 8.472 HA :: 4.632 HB2 :: 3.620 HB3 :: 2.756 HD1 :: 7.083 HD2 :: 7.083 HE1 :: 6.977 HE2 :: 6.977 HZ :: 7.036 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 :: 115.703 Ave N Shift Values>> N :: 120.69(4.18) 1.K33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 A 0.26 K 0.03 M 0.03 R 0.01 C Shift Assignments>> C :: 174.395 CA :: 51.976 CB :: 31.033 CG :: 22.707 CD :: 27.203 CE :: 39.694 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 :: 7.792 HA :: 4.556 HB2 :: 1.861 HB3 :: 1.507 HG2 :: 1.329 HG3 :: 1.411 HD2 :: 1.647 HD3 :: 1.647 HE2 :: 2.934 HE3 :: 2.934 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 :: 110.944 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.31 C 0.17 L 0.09 F 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 172.885 CA :: 50.175 CB :: 40.848 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 :: 6.757 HA :: 4.438 HB2 :: 2.962 HB3 :: 2.764 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 :: 124.293 Ave N Shift Values>> N :: 120.73(4.2) 1.P35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.53 P 0.44 G 0.01 C Shift Assignments>> C :: 177.373 CA :: 62.515 CB :: 30.087 CG :: 25.104 CD :: 49.148 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 :: 4.376 HB2 :: 2.410 HB3 :: 1.981 HG2 :: 2.006 HG3 :: 2.006 HD2 :: 3.875 HD3 :: 4.021 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) 1.K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 L 0.05 K 0.04 R 0.02 A 0.01 M 0.01 C Shift Assignments>> C :: 177.378 CA :: 56.634 CB :: 30.027 CG :: 23.294 CD :: 26.759 CE :: 39.520 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 :: 9.074 HA :: 4.157 HB2 :: 1.755 HB3 :: 1.755 HG2 :: 1.473 HG3 :: 1.562 HD2 :: 1.717 HD3 :: 1.772 HE2 :: 2.992 HE3 :: 2.992 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 :: 119.393 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.41 M 0.04 C Shift Assignments>> C :: 173.651 CA :: 63.265 CB :: 35.157 CG1 :: 30.685 CG2 :: 15.738 CD1 :: 12.303 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 :: 8.641 HA :: 3.297 HB :: 2.172 HG12 :: 1.939 HG13 :: 0.892 HG21 :: 1.069 HG22 :: 1.069 HG23 :: 1.069 HD11 :: 1.306 HD12 :: 1.306 HD13 :: 1.306 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 :: 120.378 Ave N Shift Values>> N :: 121.6(4.72) 1.S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.857 CA :: 58.111 CB :: 62.228 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.536 HA :: 4.734 HB2 :: 4.195 HB3 :: 3.897 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 :: 113.159 Ave N Shift Values>> N :: 116.3(3.95) 1.T39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.13 S 0.01 C Shift Assignments>> C :: 172.363 CA :: 60.614 CB :: 68.500 CG2 :: 19.339 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 :: 7.025 HA :: 4.048 HB :: 4.359 HG21 :: 1.289 HG22 :: 1.289 HG23 :: 1.289 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 :: 109.305 Ave N Shift Values>> N :: 115.7(5.05) 1.S40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 C Shift Assignments>> C :: 172.084 CA :: 61.408 CB :: 60.101 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.570 HA :: 3.811 HB2 :: 3.565 HB3 :: 4.253 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 :: 108.541 Ave N Shift Values>> N :: 116.3(3.95) 1.L41 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 V 0.15 A 0.08 C Shift Assignments>> CA :: 57.159 CB :: 35.767(S) CG :: 25.011 CD1 :: 20.536 CD2 :: 21.927 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 :: 8.317 HA :: 4.127 HB2 :: 1.766 HB3 :: 1.633 HG :: 1.711 HD11 :: 0.868 HD12 :: 0.868 HD13 :: 0.868 HD21 :: 0.990 HD22 :: 0.990 HD23 :: 0.990 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 :: 125.495 Ave N Shift Values>> N :: 121.98(4.07) 1.P42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.46 P 0.31 G 0.21 C Shift Assignments>> CA :: 63.568 CB :: 29.640 CG :: 26.538 CD :: 47.872 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 :: 4.394 HB2 :: 2.182 HB3 :: 1.552 HG2 :: 1.921 HG3 :: 1.636 HD2 :: 3.648 HD3 :: 3.347 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) 1.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.43 I 0.03 C Shift Assignments>> C :: 174.510 CA :: 63.223 CB :: 29.395 CG1 :: 19.344 CG2 :: 19.635 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 :: 6.431 HA :: 3.352 HB :: 1.965 HG11 :: 0.482 HG12 :: 0.482 HG13 :: 0.482 HG21 :: 0.526 HG22 :: 0.526 HG23 :: 0.526 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 :: 110.513 Ave N Shift Values>> N :: 121.02(4.96) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 L 0.44 A 0.03 HN Overlap>> 1.M115 1.M115 C Shift Assignments>> C :: 175.134 CA :: 56.141 CB :: 39.522 CG :: 25.869 CD1 :: 23.789 CD2 :: 22.755 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 :: 8.149 HA :: 3.630 HB2 :: 1.784 HB3 :: 1.048 HG :: 1.464 HD11 :: 0.829 HD12 :: 0.829 HD13 :: 0.829 HD21 :: 0.604 HD22 :: 0.604 HD23 :: 0.604 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 :: 119.795 Ave N Shift Values>> N :: 121.98(4.07) 1.D45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 C 0.21 Y 0.12 D 0.11 F 0.08 E 0.05 L 0.02 M 0.01 I 0.01 C Shift Assignments>> C :: 175.274 CA :: 54.304 CB :: 38.048 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 :: 8.905 HA :: 4.267 HB2 :: 2.628 HB3 :: 2.085 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 :: 116.168 Ave N Shift Values>> N :: 120.73(4.2) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 A 0.32 L 0.1 C Shift Assignments>> C :: 175.688 CA :: 55.060 CB :: 39.659 CG :: 26.778 CD1 :: 21.258 CD2 :: 21.073 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 :: 7.128 HA :: 3.914 HB2 :: 2.163 HB3 :: 1.668 HG :: 1.304 HD11 :: 0.866 HD12 :: 0.866 HD13 :: 0.866 HD21 :: 0.753 HD22 :: 0.753 HD23 :: 0.753 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 :: 119.925 Ave N Shift Values>> N :: 121.98(4.07) 1.I47 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>> C :: 174.656 CA :: 64.261 CB :: 35.749 CG1 :: 28.671 CG2 :: 14.844 CD1 :: 13.307 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 :: 8.096 HA :: 3.286 HB :: 1.724 HG12 :: 0.481 HG13 :: 1.864 HG21 :: 0.682 HG22 :: 0.682 HG23 :: 0.682 HD11 :: 0.602 HD12 :: 0.602 HD13 :: 0.602 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 :: 120.457 Ave N Shift Values>> N :: 121.6(4.72) 1.D48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.19 K 0.13 C 0.11 F 0.09 N 0.07 Y 0.07 R 0.03 C Shift Assignments>> C :: 174.952 CA :: 54.639 CB :: 41.201 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 :: 7.746 HA :: 4.357 HB2 :: 2.530 HB3 :: 2.415 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 :: 116.889 Ave N Shift Values>> N :: 120.73(4.2) 1.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 M 0.29 C 0.01 C Shift Assignments>> C :: 177.498 CA :: 51.800 CB :: 16.740 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.983 HA :: 3.960 HB1 :: 1.270 HB2 :: 1.270 HB3 :: 1.270 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.806 Ave N Shift Values>> N :: 123.23(3.7) 1.I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.41 C Shift Assignments>> C :: 174.111 CA :: 61.654 CB :: 36.561 CG1 :: 25.918 CG2 :: 15.094 CD1 :: 13.285 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 :: 7.942 HA :: 3.812 HB :: 1.830 HG12 :: 1.208 HG13 :: 1.778 HG21 :: 0.894 HG22 :: 0.894 HG23 :: 0.894 HD11 :: 0.854 HD12 :: 0.854 HD13 :: 0.854 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 :: 116.365 Ave N Shift Values>> N :: 121.6(4.72) 1.Q51 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.82 C 0.09 R 0.03 K 0.02 Q 0.01 C Shift Assignments>> C :: 168.539(A) CA :: 50.479 CB :: 27.255 CG :: 32.187 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 :: 8.342 HA :: 4.661 HB2 :: 2.004 HB3 :: 1.684 HG2 :: 2.114 HG3 :: 2.114 HE21 :: 7.487 HE22 :: 6.790 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 :: 120.643 NE2 :: 111.750 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.75 G 0.15 P 0.08 C Shift Assignments>> C :: 176.542 CA :: 62.288 CB :: 29.593 CG :: 25.029 CD :: 48.003 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 :: 4.838 HB2 :: 2.282 HB3 :: 1.788 HG2 :: 1.985 HG3 :: 1.985 HD2 :: 3.495 HD3 :: 3.340 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) 1.G53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.31 L 0.29 K 0.09 C 0.07 D 0.07 F 0.05 Y 0.03 G 0.03 I 0.01 C Shift Assignments>> C :: 172.936 CA :: 42.882 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.968 HA2 :: 4.248 HA3 :: 3.932 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.618 Ave N Shift Values>> N :: 109.91(4.29) 1.S54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.081 CA :: 58.337 CB :: 60.953 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.295 HA :: 3.935 HB2 :: 3.491 HB3 :: 3.720 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 :: 115.988 Ave N Shift Values>> N :: 116.3(3.95) 1.I55 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 A 0.05 C Shift Assignments>> C :: 172.212 CA :: 54.632 CB :: 34.442 CG1 :: 23.421 CG2 :: 14.103 CD1 :: 7.624 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 :: 7.073 HA :: 4.032 HB :: 1.572 HG12 :: 1.363 HG13 :: 1.414 HG21 :: -0.148 HG22 :: -0.148 HG23 :: -0.148 HD11 :: 0.263 HD12 :: 0.263 HD13 :: 0.263 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 :: 119.516 Ave N Shift Values>> N :: 121.6(4.72) 1.N56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.35 C 0.32 G 0.21 N 0.04 M 0.03 C Shift Assignments>> C :: 173.501 CA :: 48.561 CB :: 34.831 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 :: 7.948 HA :: 4.826 HB2 :: 3.016 HB3 :: 2.593 HD21 :: 7.476 HD22 :: 7.022 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 :: 123.857 ND2 :: 109.300 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 Y 0.25 C Shift Assignments>> C :: 175.109 CA :: 59.942 CB :: 35.310 CD1 :: 131.203 CD2 :: 131.203 CE1 :: 115.095 CE2 :: 115.095 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>> H :: 8.673 HA :: 3.806 HB2 :: 3.019 HB3 :: 2.768 HD1 :: 7.056 HD2 :: 7.056 HE1 :: 6.636 HE2 :: 6.636 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) N Shift Assignments>> N :: 122.605 Ave N Shift Values>> N :: 120.79(4.69) 1.D58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 C 0.22 Y 0.12 D 0.09 F 0.08 E 0.06 M 0.02 L 0.01 I 0.01 C Shift Assignments>> C :: 175.114 CA :: 54.208 CB :: 37.824 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 :: 8.098 HA :: 4.434 HB2 :: 2.588 HB3 :: 2.681 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 :: 118.131 Ave N Shift Values>> N :: 120.73(4.2) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 C 0.21 C Shift Assignments>> C :: 174.040 CA :: 52.097 CB :: 39.006 CG :: 24.183 CD1 :: 22.728 CD2 :: 19.556 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 :: 7.281 HA :: 4.122 HB2 :: 1.306 HB3 :: 1.198 HG :: 1.262 HD11 :: 0.647 HD12 :: 0.647 HD13 :: 0.647 HD21 :: 0.570 HD22 :: 0.570 HD23 :: 0.570 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 :: 116.357 Ave N Shift Values>> N :: 121.98(4.07) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 L 0.25 A 0.23 G 0.02 C Shift Assignments>> C :: 173.131 CA :: 51.638 CB :: 41.493 CG :: 23.661 CD1 :: 24.002 CD2 :: 23.024 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 :: 7.049 HA :: 4.337 HB2 :: 1.612 HB3 :: 1.287 HG :: 1.504 HD11 :: 0.627 HD12 :: 0.627 HD13 :: 0.627 HD21 :: 0.551 HD22 :: 0.551 HD23 :: 0.551 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 :: 117.532 Ave N Shift Values>> N :: 121.98(4.07) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 A 0.21 K 0.04 R 0.02 M 0.02 HN Overlap>> 1.A81 1.A81 C Shift Assignments>> C :: 174.170 CA :: 52.836 CB :: 31.754 CG :: 22.685 CD :: 26.594 CE :: 39.859 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 :: 8.252 HA :: 4.593 HB2 :: 1.727 HB3 :: 1.575 HG2 :: 1.388 HG3 :: 1.388 HD2 :: 1.551 HD3 :: 1.551 HE2 :: 2.953 HE3 :: 2.953 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 :: 122.925 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.66 C 0.21 S 0.1 A 0.01 C Shift Assignments>> C :: 171.935 CA :: 59.603 CB :: 67.744 CG2 :: 19.434 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 :: 8.486 HA :: 4.502 HB :: 4.292 HG21 :: 1.090 HG22 :: 1.090 HG23 :: 1.090 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 :: 110.097 Ave N Shift Values>> N :: 115.7(5.05) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 M 0.24 Q 0.23 K 0.15 E 0.03 R 0.02 C Shift Assignments>> C :: 172.247 CA :: 52.686 CB :: 30.342 CG :: 33.325 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 :: 7.555 HA :: 4.483 HB2 :: 1.775 HB3 :: 1.937 HG2 :: 2.114 HG3 :: 2.114 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 :: 119.780 Ave N Shift Values>> N :: 120.68(3.68) 1.N64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 M 0.16 N 0.12 P 0.12 Q 0.06 K 0.05 E 0.03 Y 0.01 W 0.01 C Shift Assignments>> C :: 172.079 CA :: 51.440 CB :: 34.955 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 :: 8.891 HA :: 4.224 HB2 :: 2.841 HB3 :: 2.657 HD21 :: 7.600 HD22 :: 6.831 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 :: 119.141 ND2 :: 113.636 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.25 K 0.14 A 0.04 C Shift Assignments>> C :: 175.868 CA :: 54.164 CB :: 41.286 CG :: 26.676 CD1 :: 23.097 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 :: 8.118 HA :: 4.336 HB2 :: 1.418 HB3 :: 1.550 HG :: 1.304 HD11 :: 0.612 HD12 :: 0.612 HD13 :: 0.612 HD21 :: 0.598 HD22 :: 0.598 HD23 :: 0.598 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 :: 118.690 Ave N Shift Values>> N :: 121.98(4.07) 1.N66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 G 0.27 N 0.19 P 0.06 M 0.02 C Shift Assignments>> C :: 173.605 CA :: 48.575 CB :: 36.136 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 :: 8.841 HA :: 4.734 HB2 :: 3.267 HB3 :: 2.828 HD21 :: 7.311 HD22 :: 6.895 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 :: 121.112 ND2 :: 110.886 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Y 0.2 E 0.15 F 0.13 N 0.08 I 0.04 D 0.04 M 0.03 L 0.01 K 0.01 C Shift Assignments>> C :: 176.409 CA :: 56.367 CB :: 37.656 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 :: 8.382 HA :: 4.166 HB2 :: 2.523 HB3 :: 2.633 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 :: 117.793 Ave N Shift Values>> N :: 120.73(4.2) 1.D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 N 0.21 Y 0.17 F 0.12 D 0.09 E 0.08 I 0.02 L 0.02 M 0.02 C Shift Assignments>> C :: 176.473 CA :: 55.221 CB :: 38.092 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 :: 8.026 HA :: 4.324 HB2 :: 2.544 HB3 :: 2.636 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 :: 121.381 Ave N Shift Values>> N :: 120.73(4.2) 1.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.25 K 0.21 E 0.1 R 0.07 I 0.01 M 0.01 C Shift Assignments>> C :: 177.750 CA :: 56.448 CB :: 27.418 CG :: 34.334 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 :: 8.411 HA :: 3.977 HB2 :: 2.144 HB3 :: 1.789 HG2 :: 2.224 HG3 :: 2.479 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 :: 120.941 Ave N Shift Values>> N :: 120.68(3.68) 1.K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 K 0.17 R 0.08 C Shift Assignments>> C :: 177.629 CA :: 58.682 CB :: 30.425 CG :: 26.486 CD :: 27.555 CE :: 40.139 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 :: 8.507 HA :: 3.804 HB2 :: 1.954 HB3 :: 1.954 HG2 :: 1.715 HG3 :: 0.990 HD2 :: 1.579 HD3 :: 1.579 HE2 :: 2.720 HE3 :: 2.583 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 :: 118.637 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 A 0.19 L 0.04 C Shift Assignments>> C :: 175.956 CA :: 55.961 CB :: 38.582 CG :: 24.864 CD1 :: 21.129 CD2 :: 22.520 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 :: 8.010 HA :: 3.908 HB2 :: 1.874 HB3 :: 1.666 HG :: 1.525 HD11 :: 0.865 HD12 :: 0.865 HD13 :: 0.865 HD21 :: 0.872 HD22 :: 0.872 HD23 :: 0.872 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 :: 122.766 Ave N Shift Values>> N :: 121.98(4.07) 1.N72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.18 M 0.16 N 0.09 K 0.08 Q 0.05 Y 0.05 F 0.01 C Shift Assignments>> C :: 176.439 CA :: 54.489 CB :: 35.676 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 :: 8.168 HA :: 4.367 HB2 :: 2.867 HB3 :: 2.867 HD21 :: 7.660 HD22 :: 6.845 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 :: 118.337 ND2 :: 112.831 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.N73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 M 0.19 E 0.12 K 0.1 Q 0.09 N 0.08 Y 0.03 W 0.01 F 0.01 C Shift Assignments>> C :: 174.411 CA :: 53.758 CB :: 35.218 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 :: 8.351 HA :: 4.250 HB2 :: 3.022 HB3 :: 2.699 HD21 :: 7.366 HD22 :: 7.615 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 :: 121.301 ND2 :: 105.904 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.27 C 0.01 C Shift Assignments>> C :: 177.807 CA :: 52.559 CB :: 17.693 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.782 HA :: 4.392 HB1 :: 1.557 HB2 :: 1.557 HB3 :: 1.557 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.512 Ave N Shift Values>> N :: 123.23(3.7) 1.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 K 0.19 R 0.04 M 0.01 C Shift Assignments>> C :: 177.625 CA :: 58.052 CB :: 30.557 CG :: 24.205 CD :: 27.583 CE :: 39.777 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 :: 8.552 HA :: 3.762 HB2 :: 1.882 HB3 :: 1.882 HG2 :: 1.377 HG3 :: 1.632 HD2 :: 1.640 HD3 :: 1.640 HE2 :: 2.772 HE3 :: 2.910 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 :: 117.952 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 Y 0.13 C Shift Assignments>> C :: 174.670 CA :: 57.543 CB :: 35.798 CD1 :: 130.101 CD2 :: 130.101 CE1 :: 115.377 CE2 :: 115.377 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>> H :: 7.875 HA :: 4.417 HB2 :: 3.205 HB3 :: 2.978 HD1 :: 6.914 HD2 :: 6.914 HE1 :: 6.574 HE2 :: 6.574 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) N Shift Assignments>> N :: 120.800 Ave N Shift Values>> N :: 120.79(4.69) 1.A77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.73 A 0.23 C 0.01 I 0.01 C Shift Assignments>> C :: 176.289 CA :: 53.584 CB :: 15.326 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.605 HA :: 3.413 HB1 :: 1.236 HB2 :: 1.236 HB3 :: 1.236 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.308 Ave N Shift Values>> N :: 123.23(3.7) 1.I78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 I 0.1 C Shift Assignments>> C :: 175.590 CA :: 62.169 CB :: 34.829 CG1 :: 26.650 CG2 :: 14.723 CD1 :: 9.059 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 :: 8.095 HA :: 3.303 HB :: 1.762 HG12 :: 1.040 HG13 :: 1.310 HG21 :: 0.734 HG22 :: 0.734 HG23 :: 0.734 HD11 :: 0.397 HD12 :: 0.397 HD13 :: 0.397 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 :: 116.079 Ave N Shift Values>> N :: 121.6(4.72) 1.S79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.769 CA :: 59.348 CB :: 60.608 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.842 HA :: 4.062 HB2 :: 3.888 HB3 :: 3.922 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 :: 114.048 Ave N Shift Values>> N :: 116.3(3.95) 1.M80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 M 0.21 A 0.1 I 0.04 C Shift Assignments>> C :: 175.733 CA :: 53.246 CB :: 28.550 CE :: 14.444 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 :: 8.560 HA :: 4.436 HB2 :: 1.421 HB3 :: 1.674 HE1 :: 1.798 HE2 :: 1.798 HE3 :: 1.798 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 :: 120.657 Ave N Shift Values>> N :: 120.1(3.88) 1.A81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.78 A 0.17 C 0.01 I 0.01 HN Overlap>> 1.K61 1.K61 C Shift Assignments>> C :: 176.331 CA :: 52.811 CB :: 14.517 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.319 HA :: 3.728 HB1 :: 1.242 HB2 :: 1.242 HB3 :: 1.242 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.007 Ave N Shift Values>> N :: 123.23(3.7) 1.R82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.37 K 0.29 C 0.26 R 0.06 C Shift Assignments>> C :: 178.572 CA :: 56.807 CB :: 27.257 CG :: 26.277 CD :: 41.302 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 :: 7.586 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) 1.K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 K 0.07 R 0.06 L 0.05 M 0.01 A 0.01 C Shift Assignments>> C :: 176.599 CA :: 57.266 CB :: 29.972 CG :: 23.078 CD :: 26.924 CE :: 39.859 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 :: 8.092 HA :: 3.954 HB2 :: 1.921 HB3 :: 2.032 HG2 :: 1.316 HG3 :: 1.478 HD2 :: 1.585 HD3 :: 1.648 HE2 :: 2.943 HE3 :: 2.943 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 :: 122.233 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 I 0.25 HN Overlap>> 1.S28 1.S28 C Shift Assignments>> C :: 173.254 CA :: 59.640 CB :: 35.930 CG1 :: 24.369 CG2 :: 14.907 CD1 :: 13.504 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 :: 7.510 HA :: 4.380 HB :: 2.103 HG12 :: 1.284 HG13 :: 1.463 HG21 :: 0.805 HG22 :: 0.805 HG23 :: 0.805 HD11 :: 0.749 HD12 :: 0.749 HD13 :: 0.749 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 :: 110.080 Ave N Shift Values>> N :: 121.6(4.72) 1.G85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.28 K 0.09 C 0.07 D 0.06 F 0.05 G 0.03 Y 0.03 I 0.01 C Shift Assignments>> C :: 171.938 CA :: 42.935 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.593 HA2 :: 4.257 HA3 :: 3.581 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.746 Ave N Shift Values>> N :: 109.91(4.29) 1.A86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.53 G 0.39 M 0.05 C 0.01 C Shift Assignments>> CA :: 48.418 CB :: 16.915 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.142 HA :: 4.320 HB1 :: 0.974 HB2 :: 0.974 HB3 :: 0.974 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) 1.R87 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 V 0.29 A 0.02 C Shift Assignments>> CA :: 58.650 CB :: 31.651 CG1 :: 20.073 CG2 :: 19.107 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 :: 7.699 HA :: 3.955 HB :: 1.797 HG11 :: 0.828 HG12 :: 0.828 HG13 :: 0.828 HG21 :: 0.725 HG22 :: 0.725 HG23 :: 0.725 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 :: 119.956 Ave N Shift Values>> N :: 121.02(4.96) 1.Y89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.63 Y 0.36 C Shift Assignments>> CA :: 55.829 CB :: 36.774 CD1 :: 131.107 CD2 :: 131.107 CE1 :: 115.511 CE2 :: 115.511 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>> HA :: 4.479 HB2 :: 2.943 HB3 :: 2.724 HD1 :: 6.972 HD2 :: 6.972 HE1 :: 6.643 HE2 :: 6.643 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) 1.A90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.09 G 0.02 C 0.01 C Shift Assignments>> C :: 172.069 CA :: 49.369 CB :: 17.486 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.398 HA :: 4.097 HB1 :: 0.958 HB2 :: 0.958 HB3 :: 0.958 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.780 Ave N Shift Values>> N :: 123.23(3.7) 1.L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 C 0.22 C Shift Assignments>> CA :: 49.868 CB :: 38.478 CG :: 24.840 CD1 :: 20.023 CD2 :: 22.846 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 :: 8.923 HA :: 4.592 HB2 :: 1.712 HB3 :: 1.375 HG :: 1.714 HD11 :: 0.852 HD12 :: 0.852 HD13 :: 0.852 HD21 :: 0.867 HD22 :: 0.867 HD23 :: 0.867 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 :: 120.023 Ave N Shift Values>> N :: 121.98(4.07) 1.P92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.59 C 0.35 P 0.04 C Shift Assignments>> C :: 176.063 CA :: 63.980 CB :: 29.409 CG :: 26.517 CD :: 47.131 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 :: 3.901 HB2 :: 1.981 HB3 :: 1.828 HG2 :: 1.816 HG3 :: 2.241 HD2 :: 3.693 HD3 :: 3.809 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) 1.E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.16 Q 0.11 I 0.11 E 0.1 R 0.03 M 0.01 C Shift Assignments>> C :: 175.207 CA :: 58.479 CB :: 26.429 CG :: 35.120 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 :: 9.833 HA :: 3.674 HB2 :: 1.819 HB3 :: 1.870 HG2 :: 2.109 HG3 :: 2.333 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 :: 115.900 Ave N Shift Values>> N :: 120.68(3.68) 1.D94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.18 C 0.18 D 0.17 F 0.17 N 0.14 L 0.07 I 0.02 E 0.02 C Shift Assignments>> C :: 175.669 CA :: 55.606 CB :: 39.249 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 :: 7.638 HA :: 4.354 HB2 :: 2.984 HB3 :: 2.249 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 :: 116.797 Ave N Shift Values>> N :: 120.73(4.2) 1.L95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 A 0.29 L 0.05 C Shift Assignments>> C :: 175.231 CA :: 55.168 CB :: 38.126 CG :: 25.628 CD1 :: 21.123 CD2 :: 22.960 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 :: 6.925 HA :: 3.934 HB2 :: 1.944 HB3 :: 1.491 HG :: 1.437 HD11 :: 0.618 HD12 :: 0.618 HD13 :: 0.618 HD21 :: 0.805 HD22 :: 0.805 HD23 :: 0.805 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 :: 116.162 Ave N Shift Values>> N :: 121.98(4.07) 1.V96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 C 0.22 C Shift Assignments>> C :: 175.692 CA :: 64.050 CB :: 29.945 CG1 :: 19.530 CG2 :: 20.630 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 :: 7.172 HA :: 3.755 HB :: 1.878 HG11 :: 0.871 HG12 :: 0.871 HG13 :: 0.871 HG21 :: 0.846 HG22 :: 0.846 HG23 :: 0.846 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 :: 115.663 Ave N Shift Values>> N :: 121.02(4.96) 1.E97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 Q 0.26 K 0.16 R 0.09 E 0.04 M 0.01 C Shift Assignments>> C :: 173.470 CA :: 53.631 CB :: 26.871 CG :: 34.141 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 :: 8.006 HA :: 4.022 HB2 :: 2.028 HB3 :: 1.843 HG2 :: 2.207 HG3 :: 2.297 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 :: 113.312 Ave N Shift Values>> N :: 120.68(3.68) 1.V98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 V 0.08 L 0.01 C Shift Assignments>> C :: 171.034 CA :: 61.159 CB :: 26.729 CG1 :: 22.240 CG2 :: 19.778 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 :: 7.293 HA :: 2.940 HB :: 2.408 HG11 :: 0.842 HG12 :: 0.842 HG13 :: 0.842 HG21 :: 0.762 HG22 :: 0.762 HG23 :: 0.762 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 :: 120.028 Ave N Shift Values>> N :: 121.02(4.96) 1.N99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 C 0.3 N 0.09 P 0.05 M 0.01 HN Overlap>> 1.E22 1.E22 C Shift Assignments>> C :: 172.521 CA :: 48.217 CB :: 35.873 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 :: 8.199 HA :: 4.969 HB2 :: 2.874 HB3 :: 2.874 HD21 :: 7.065 HD22 :: 8.006 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 :: 121.200 ND2 :: 113.518 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.21 G 0.01 C Shift Assignments>> C :: 176.807 CA :: 63.885 CB :: 30.228 CG :: 26.015 CD :: 49.131 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 :: 4.225 HB2 :: 1.950 HB3 :: 1.950 HG2 :: 2.095 HG3 :: 1.942 HD2 :: 3.811 HD3 :: 3.811 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) 1.K101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 R 0.06 L 0.05 K 0.04 A 0.02 M 0.01 C Shift Assignments>> C :: 176.575 CA :: 56.805 CB :: 30.100 CG :: 22.803 CD :: 26.480 CE :: 39.918 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 :: 7.833 HA :: 4.222 HB2 :: 2.080 HB3 :: 1.944 HG2 :: 1.416 HG3 :: 1.416 HD2 :: 1.670 HD3 :: 1.794 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 :: 116.053 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.M102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 M 0.19 A 0.16 HN Overlap>> 1.S27 1.S27 C Shift Assignments>> CA :: 52.715 CB :: 29.439 CG :: 29.646 CE :: 14.746 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 :: 7.006 HA :: 4.674 HB2 :: 1.712 HB3 :: 2.327 HG2 :: 2.742 HG3 :: 2.327 HE1 :: 1.977 HE2 :: 1.977 HE3 :: 1.977 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 :: 114.587 Ave N Shift Values>> N :: 120.1(3.88) 1.V103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> CA :: 65.103 CB :: 29.624 CG1 :: 21.245 CG2 :: 21.929 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 :: 8.942 HA :: 3.146 HB :: 2.200 HG11 :: 1.211 HG12 :: 1.211 HG13 :: 1.211 HG21 :: 1.004 HG22 :: 1.004 HG23 :: 1.004 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 :: 122.854 Ave N Shift Values>> N :: 121.02(4.96) 1.M104 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.94 M 0.04 HN Overlap>> 1.T19 1.T19 C Shift Assignments>> C :: 175.083 CA :: 57.432 CB :: 28.379 CG :: 28.888 CE :: 13.796 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 :: 7.814 HA :: 2.587(A) HB2 :: 1.438 HB3 :: 1.914 HG2 :: 2.365 HG3 :: 2.365 HE1 :: 1.902 HE2 :: 1.902 HE3 :: 1.902 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 :: 118.494 Ave N Shift Values>> N :: 120.1(3.88) 1.T105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.11 S 0.09 C Shift Assignments>> C :: 174.625 CA :: 63.217 CB :: 66.628 CG2 :: 19.509 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 :: 7.008 HA :: 3.886 HB :: 4.088 HG21 :: 1.335 HG22 :: 1.335 HG23 :: 1.335 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 :: 108.884 Ave N Shift Values>> N :: 115.7(5.05) 1.V106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 V 0.28 I 0.12 C Shift Assignments>> C :: 175.163 CA :: 64.044 CB :: 28.721 CG1 :: 18.069 CG2 :: 20.682 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 :: 7.420 HA :: 3.402 HB :: 1.920 HG11 :: 0.302 HG12 :: 0.302 HG13 :: 0.302 HG21 :: 0.692 HG22 :: 0.692 HG23 :: 0.692 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 :: 124.103 Ave N Shift Values>> N :: 121.02(4.96) 1.F107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 F 0.17 C Shift Assignments>> C :: 175.159 CA :: 60.927 CB :: 36.753 CD1 :: 130.305 CD2 :: 130.305 CE1 :: 127.810 CE2 :: 127.810 CZ :: 127.113 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 :: 7.458 HA :: 4.118 HB2 :: 2.918 HB3 :: 2.734 HD1 :: 7.242 HD2 :: 7.242 HE1 :: 7.028 HE2 :: 7.028 HZ :: 6.853 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 :: 115.931 Ave N Shift Values>> N :: 120.69(4.18) 1.A108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.4 C 0.01 I 0.01 C Shift Assignments>> CA :: 53.229 CB :: 16.052 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.175 HA :: 3.830 HB1 :: 1.362 HB2 :: 1.362 HB3 :: 1.362 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.673 Ave N Shift Values>> N :: 123.23(3.7) 1.C109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 I 0.2 C 0.18 L 0.1 V 0.09 R 0.06 T 0.04 M 0.02 W 0.01 Q 0.01 C Shift Assignments>> CA :: 59.887 CB :: 24.419 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.998 HA :: 4.172 HB2 :: 3.016 HB3 :: 2.752 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 :: 117.367 Ave N Shift Values>> N :: 119.95(4.79) 1.L110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 A 0.23 L 0.06 C Shift Assignments>> C :: 175.099 CA :: 55.548 CB :: 38.883 CG :: 24.699 CD1 :: 21.239 CD2 :: 24.239 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 :: 7.674 HA :: 3.889 HB2 :: 1.302 HB3 :: 2.030 HG :: 1.658 HD11 :: 0.627 HD12 :: 0.627 HD13 :: 0.627 HD21 :: 0.623 HD22 :: 0.623 HD23 :: 0.623 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 :: 121.192 Ave N Shift Values>> N :: 121.98(4.07) 1.M111 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.71 M 0.24 A 0.04 C Shift Assignments>> C :: 175.186 CA :: 56.299 CB :: 29.519 CG :: 29.699 CE :: 15.284 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 :: 8.215 HA :: 2.773(A) HB2 :: 1.713 HB3 :: 1.419 HG2 :: 0.334(S) HG3 :: 1.268 HE1 :: 1.635 HE2 :: 1.635 HE3 :: 1.635 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 :: 120.358 Ave N Shift Values>> N :: 120.1(3.88) 1.G112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 L 0.21 R 0.17 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 175.191 CA :: 44.445 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.656 HA2 :: 3.578 HA3 :: 3.654 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.173 Ave N Shift Values>> N :: 109.91(4.29) 1.K113 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.D10 1.D10 H Shift Assignments>> H :: 8.040 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 :: 118.300 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.3 L 0.26 G 0.2 C 0.09 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> CA :: 43.901 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.452 HA2 :: 4.093 HA3 :: 3.790 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.583 Ave N Shift Values>> N :: 109.91(4.29) 1.M115 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.L44 1.L44 H Shift Assignments>> H :: 8.068 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 :: 119.737 Ave N Shift Values>> N :: 120.1(3.88) 1.K116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 A 0.17 R 0.04 K 0.03 L 0.03 M 0.02 C Shift Assignments>> C :: 174.068 CA :: 54.022 CB :: 30.384 CG :: 22.557 CD :: 26.759 CE :: 39.859 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 :: 8.363 HA :: 4.252 HB2 :: 1.776 HE2 :: 2.909 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 :: 124.173 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 L 0.31 C 0.24 R 0.03 C Shift Assignments>> C :: 174.012 CA :: 53.740 CB :: 28.561 CG :: 24.835 CD :: 41.018 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 :: 8.210 HA :: 4.332 HB2 :: 1.734 HB3 :: 1.803 HG2 :: 1.582 HG3 :: 1.545 HD2 :: 3.142 HD3 :: 3.142 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 :: 122.110 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.V118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 V 0.1 I 0.07 C Shift Assignments>> C :: 173.804 CA :: 59.804 CB :: 30.609 CG1 :: 18.895 CG2 :: 18.047 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 :: 8.177 HA :: 4.136 HB :: 2.041 HG11 :: 0.872 HG12 :: 0.872 HG13 :: 0.872 HG21 :: 0.875 HG22 :: 0.875 HG23 :: 0.875 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 :: 120.926 Ave N Shift Values>> N :: 121.02(4.96) 1.S119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 C Shift Assignments>> C :: 172.093 CA :: 55.873 CB :: 61.518 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.333 HA :: 4.403 HB2 :: 3.804 HB3 :: 3.804 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 :: 119.283 Ave N Shift Values>> N :: 116.3(3.95) 1.G120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 K 0.18 R 0.15 D 0.1 F 0.07 C 0.07 Y 0.04 I 0.02 N 0.01 G 0.01 C Shift Assignments>> C :: 169.364 CA :: 42.335 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.195 HA2 :: 4.024 HA3 :: 4.089 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.510 Ave N Shift Values>> N :: 109.91(4.29) 1.P121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.77 G 0.21 C Shift Assignments>> C :: 175.051 CA :: 60.936 CB :: 29.847 CG :: 24.802 CD :: 47.453 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 :: 4.398 HB2 :: 2.215 HB3 :: 1.899 HG2 :: 1.937 HG3 :: 1.937 HD2 :: 3.548 HD3 :: 3.548 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) 1.S122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 C Shift Assignments>> C :: 172.337 CA :: 55.996 CB :: 61.665 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.463 HA :: 4.403 HB2 :: 3.816 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 :: 116.042 Ave N Shift Values>> N :: 116.3(3.95) 1.S123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 C Shift Assignments>> C :: 171.586 CA :: 56.029 CB :: 61.569 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.242 HA :: 4.408 HB2 :: 3.778 HB3 :: 3.778 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 :: 117.460 Ave N Shift Values>> N :: 116.3(3.95) 1.G124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.31 L 0.27 G 0.19 C 0.09 D 0.03 F 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 176.648 CA :: 43.873 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.974 HA2 :: 3.715 HA3 :: 3.670 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.499 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 119 #Clerical: 0 #Suspicious: 0 #Anomalous: 3 #Mistyped: 2 #Indeterminable: 0 Typing Results: #Consistent: 115 #Suspicious: 0 #Mistyped: 2 #Indeterminable: 7 Shift Relative Order (SRO) Results: #Consistent: 124 #Suspicious: 0 C Shift Results: #Consistent: 495 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 1 H Shift Results: #Consistent: 803 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 2 N Shift Results: #Consistent: 117 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L41 Typing: Mistyped 1.L41 CB = 35.767(S), Expected = 42.37, Std = 1.8600, ChiSquare = 3.8523e-04 1.Q51 C = 168.539(A), Expected = 176.39, Std = 1.9600, ChiSquare = 6.1857e-05 1.I55 Typing: Mistyped 1.M104 HA = 2.587(A), Expected = 4.39, Std = 0.4600, ChiSquare = 8.8709e-05 1.M111 HA = 2.773(A), Expected = 4.39, Std = 0.4600, ChiSquare = 4.3939e-04 1.M111 HG2 = 0.334(S), Expected = 2.44, Std = 0.3600, ChiSquare = 4.9157e-09